SCHEMBL10202587

SCHEMBL10202587

CC(C)(C)c1ccc(OCCN2CCCC2)c(F)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.75
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ RECQL P46063 1/20 0.64
▸ LTA4H P09960 1/20 0.57
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ PSMB1 P20618 2/20 0.52
▸ PSMB5 P28074 2/20 0.52
▸ PSMB2 P49721 2/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.51
▸ ESR1 P03372 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL17996265 0.99 KDM4E (0.73) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL17996267 0.90 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL20204603 0.89 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL15187977 0.86 KDM4E (1.00) KDM4ESMN1; SMN2ALDH1A1RECQLCYP1A2
SCHEMBL10202603 0.83 KDM4E (0.75) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL270862 0.83 KDM4E (0.75) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL13855799 0.81 SMN1; SMN2 (0.71) KDM4ESMN1; SMN2ALDH1A1LTA4HCYP1A2
SCHEMBL25745952 0.81 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL18010724 0.80 SMN1; SMN2 (0.74) KDM4ESMN1; SMN2ALDH1A1LTA4HCYP1A2
SCHEMBL10263757 0.79 LTA4H (0.70) KDM4ESMN1; SMN2ALDH1A1LTA4HCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156820-B2 Polycyclic heteroaryl substituted triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-10-13 — — US disclosed
US-20140323490-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-10-30 — — US disclosed
US-8741898-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-06-03 — — US disclosed
US-20120264740-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2012-10-18 — — US disclosed
US-20120264740-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2012-10-18 — — US disclosed
US-8168636-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-05-01 — — US disclosed
US-20110098274-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-28 — — US disclosed
US-20100168416-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-01 — — US disclosed
US-20100168416-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-01 — — US disclosed
US-7709482-B2 angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine RIGEL PHARMACEUTICALS, INC. (US) 2010-05-04 — — US disclosed
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS 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 (5 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-20100168416-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 KDM4E 4036/4885SMN1; SMN2 4148/4885ALDH1A1 4540/4885
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 KDM4E 4036/4885SMN1; SMN2 4148/4885ALDH1A1 4540/4885
US-20110098274-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 KDM4E 4036/4885SMN1; SMN2 4148/4885ALDH1A1 4540/4885
US-20120264740-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 KDM4E 4036/4885SMN1; SMN2 4148/4885ALDH1A1 4540/4885
US-20140323490-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 KDM4E 4036/4885SMN1; SMN2 4148/4885ALDH1A1 4540/4885

“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.

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