SCHEMBL4989933

SCHEMBL4989933

[c]1ccc(N2CCN([C@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
AXL P30530 8/20 0.41
KDR P35968 6/20 0.40
SLC18A3 Q16572 1/20 0.38
CDK4 P11802 2/20 0.36
AURKA O14965 1/20 0.36
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4989938 1.00 KDM4E (0.45) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL11315406 0.84 KDM4E (0.57) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL13698447 0.84 KDM4E (0.57) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL17166950 0.84 KDM4E (0.57) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL14090630 0.82 AXL (0.48) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL12725510 0.82 KMT2A (0.56) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL11318463 0.82 AXL (0.48) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL15759153 0.82 KMT2A (0.56) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL3452912 0.82 AXL (0.45) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL3959773 0.82 AXL (0.48) KDM4EALDH1A1KMT2AMEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110551105-A substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2019-12-10 CN disclosed
US-10166216-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-01-01 US disclosed
EP-2079736-B1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2017-10-18 EP disclosed
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
US-9353126-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
EP-2476679-B1 Substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC (US) 2015-10-14 EP disclosed
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-03-12 US disclosed
US-8906922-B2 Substituted triazoles useful as AXl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed
EP-2476679-A2 Substituted triazoles useful as AXL inhibitors Rigel Pharmaceuticals, Inc. (US) 2012-07-18 EP disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 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 (4 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-10166216-B2 Substituted triazoles useful as Axl inhibitors AXL, TYRO3, MERTK KDM4E 4019/4885ALDH1A1 4309/4885KMT2A 2917/4885
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK KDM4E 4019/4885ALDH1A1 4309/4885KMT2A 2917/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK KDM4E 4019/4885ALDH1A1 4309/4885KMT2A 2917/4885
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 KDM4E 1183/4885ALDH1A1 2732/4885KMT2A 1602/4885

“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.