SCHEMBL1167935

SCHEMBL1167935

CC(C)Oc1ccc(C(=O)n2nc(N)nc2Nc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ GLA P06280 1/20 0.50
▸ MAPT P10636 4/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ BTK Q06187 2/20 0.43
▸ LCK P06239 1/20 0.43
▸ MDM2 Q00987 1/20 0.42
▸ INSR P06213 1/20 0.42
▸ AXL P30530 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL1168610 0.93 MAPT (0.58) ALDH1A1GLAMAPTUSP2ALOX15
SCHEMBL1167427 0.92 MAPT (0.59) ALDH1A1GLAMAPTUSP2ALOX15
SCHEMBL1168134 0.91 MAPT (0.48) ALDH1A1MAPTUSP2ALOX15KMT2A
SCHEMBL1167241 0.87 MAPT (0.42) ALDH1A1MAPTKMT2AHSD17B10KDM4E
SCHEMBL1168120 0.85 INSR (0.57) ALDH1A1GLAMAPTUSP2ALOX15
SCHEMBL1167171 0.84 P2RX3 (0.46) ALDH1A1GLAMAPTKMT2ATP53
SCHEMBL1167609 0.79 AXL (0.47) ALDH1A1MAPTKDM4EINSRAXL
SCHEMBL1167909 0.79 MAPT (0.42) ALDH1A1MAPTUSP2ALOX15KMT2A
SCHEMBL1166889 0.79 AXL (0.48) ALDH1A1MAPTKDM4EAXLTP53
SCHEMBL1168941 0.78 NPC1 (0.52) ALDH1A1GLAMAPTUSP2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 — — US claimed
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 — — US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 — — US disclosed
US-7884119-B2 protein tyrosine kinase receptor inhibitors such as 3-amino -1-(1H-indol-5-yl)carbonyl-5-[4-2-(pyrrolidin-1-yl)ethoxy]phenylamino]-1H-1,2,4-triazole, used for treating diseases and conditions associated with neovascularization and/or cell proliferation RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 — — US disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 — — 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 (2 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-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 ALDH1A1 3801/4885GLA 1302/4885MAPT 2385/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 ALDH1A1 4026/4885GLA 2630/4885MAPT 2368/4885

“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.

Send feedback