SCHEMBL17816237

SCHEMBL17816237

CC(C)(C)c1cc2c(nn1)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CCR4 P51679 1/20 0.31
ALOX15 P16050 1/20 0.30
HTR2C P28335 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL12744598 0.98 GAA (0.34) GAASMN1; SMN2NPC1RAB9AADRA2A
SCHEMBL14090717 0.74 HTR2C (0.39) ADRA2AADRA2BADRA2CHTR2C
SCHEMBL16171215 0.73 GRM1 (0.32) SMN1; SMN2
SCHEMBL10202788 0.73 CYP2A6 (0.39) SMN1; SMN2NPC1RAB9ACCR4
SCHEMBL13404505 0.72 TSHR (0.46) GAASMN1; SMN2NPC1RAB9AADRA2A
SCHEMBL15127500 0.71 TSHR (0.44) GAASMN1; SMN2NPC1RAB9AADRA2A
SCHEMBL25771778 0.71 TSHR (0.44) GAASMN1; SMN2NPC1RAB9AADRA2A
SCHEMBL3929381 0.71 HTR2C (0.37) GAAHTR2CKDM4E
SCHEMBL10220861 0.69 NOS3 (0.50) SMN1; SMN2NPC1RAB9ACCR4
SCHEMBL4496996 0.69 ALDH1A1 (0.35)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 US disclosed
US-9353126-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-03-12 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 (3 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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 GAA 1493/4885SMN1; SMN2 4478/4885NPC1 4651/4885
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK GAA 392/4885SMN1; SMN2 3354/4885NPC1 4152/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK GAA 392/4885SMN1; SMN2 3354/4885NPC1 4152/4885

“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.