SCHEMBL19801995

SCHEMBL19801995

COC(=O)c1ccc2c(c1)CN(c1cncnc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 5/20 0.51
▸ DDR2 Q16832 5/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ BCR P11274 1/20 0.51
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ OGFRL1 Q5TC84 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ ACACB O00763 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL19281484 0.84 DDR1 (0.48) DDR1DDR2ABL1BCROPRM1
SCHEMBL19284497 0.82 ALDH1A1 (0.49) OPRM1OPRD1OPRK1OGFRL1HDAC11
SCHEMBL16775545 0.80 OPRM1 (0.42) DDR1DDR2ABL1BCROPRM1
SCHEMBL27082281 0.79 MEN1 (0.47) NPC1RAB9AKDM4ESMN1; SMN2NPSR1
SCHEMBL15000524 0.79 OPRM1 (0.41) DDR1DDR2ABL1BCROPRM1
SCHEMBL17869278 0.79 NPC1 (0.58) OPRM1OPRD1OPRK1OGFRL1HDAC6
SCHEMBL19281454 0.78 DDR1 (0.61) DDR1DDR2ABL1BCR
SCHEMBL309165 0.77 MAOA (0.50) KDM4EALDH1A1ACACBLIPESRD5A1
SCHEMBL13181779 0.75 ACACB (0.47) OPRM1OPRD1OPRK1OGFRL1HDAC6
SCHEMBL27949705 0.75 ACACB (0.45) OPRM1OPRD1OPRK1OGFRL1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370360-B2 Small-molecule inhibitors targeting discoidin domain receptor 1 and uses thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-08-06 — — US disclosed
US-20180022730-A1 SMALL-MOLECULE INHIBITORS TARGETING DISCOIDIN DOMAIN RECEPTOR 1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-01-25 — — 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-10370360-B2 Small-molecule inhibitors targeting discoidin domain receptor 1 and uses thereof DDR1, DDR2, DDRGK1 DDR1 1/4885DDR2 2/4885ABL1 2480/4885
US-20180022730-A1 SMALL-MOLECULE INHIBITORS TARGETING DISCOIDIN DOMAIN RECEPTOR 1 AND USES THEREOF DDR1, DDR2, DDRGK1 DDR1 1/4885DDR2 2/4885ABL1 2480/4885

“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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