SCHEMBL12670596

SCHEMBL12670596

CN[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.61
PNMT P11086 6/20 0.49
ADRA2A P08913 4/20 0.49
ADRA2B P18089 3/20 0.46
ADRA2C P18825 3/20 0.46
HDAC8 Q9BY41 2/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
TLR9 Q9NR96 1/20 0.42
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
TDP2 O95551 1/20 0.40
NPC1 O15118 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9716393 0.81 PNMT (0.55) PNMTADRA2AADRA2BADRA2C
SCHEMBL11523246 0.80 GRIN2B (0.45) GRIN2BPNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9716433 0.79 PNMT (0.54) PNMTADRA2AADRA2BADRA2C
SCHEMBL24773358 0.79 GRIN2B (0.52) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL30709850 0.79 PNMT (0.65) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL9483063 0.79 PNMT (0.65) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL1919026 0.79 GRIN2B (0.55) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL467795 0.79 GRIN2B (0.55) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL2062472 0.77 GRIN2B (0.64) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL23196100 0.76 PNMT (0.54) GRIN2BPNMTADRA2AADRA2BADRA2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170042891-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER RIGEL PHARMACEUTICALS, INC. 2017-02-16 US disclosed
US-9206161-B2 Bridged bicyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9173882-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-11-03 US disclosed
US-20150216864-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-08-06 US disclosed
US-9079898-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-07-14 US disclosed
US-20150126514-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-05-07 US disclosed
US-8933080-B2 Bridged bicyclic heteroaryl substituted triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-20140128400-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-05-08 US disclosed
US-8658669-B2 Bridged bicyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-02-25 US disclosed
US-8546433-B2 Axl inhibitors for use in combination therapy for preventing, treating or managing metastatic cancer RIGEL PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20130109695-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2013-05-02 US disclosed
US-8431594-B2 Bridged bicyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-04-30 US disclosed
US-20130018051-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-8349838-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-20110105511-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-05-05 US disclosed
US-20110105512-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-05-05 US disclosed
US-20100196511-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER RIGEL PHARMACEUTICALS, INC. (US) 2010-08-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100196511-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER AXL, FLT3, MET GRIN2B 3624/4885PNMT 2022/4885ADRA2A 3246/4885
US-20150216864-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 GRIN2B 2314/4885PNMT 2462/4885ADRA2A 2771/4885
US-20130109695-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 GRIN2B 2314/4885PNMT 2462/4885ADRA2A 2771/4885
US-20110105512-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS ERBB2, AXL, ERBB3 GRIN2B 2518/4885PNMT 4209/4885ADRA2A 2075/4885
US-20140128400-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, ERBB2, TYRO3 GRIN2B 1431/4885PNMT 3948/4885ADRA2A 2334/4885
US-20170042891-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER AXL, FLT3, MET GRIN2B 3624/4885PNMT 2022/4885ADRA2A 3246/4885
US-20150126514-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, ERBB2, TYRO3 GRIN2B 1431/4885PNMT 3948/4885ADRA2A 2334/4885
US-20110105511-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 GRIN2B 2314/4885PNMT 2462/4885ADRA2A 2771/4885
US-20130018051-A1 BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, ERBB2, TYRO3 GRIN2B 1431/4885PNMT 3948/4885ADRA2A 2334/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.