SCHEMBL3914541

SCHEMBL3914541

Cc1c(O)ncnc1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HTR2C P28335 1/20 0.38
LTB4R Q15722 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMO Q99835 1/20 0.36
IDH1 O75874 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL858572 0.80 MEN1 (0.48) CALM1TAAR1HTR2CLTB4RALDH1A1
SCHEMBL3921691 0.79 AR (0.42) TAAR1HTR2CALDH1A1HPGDMAPK1
SCHEMBL9003043 0.76 NPC1 (0.44) CALM1BCL2BCL2L1ALDH1A1KDM4E
SCHEMBL5477397 0.76 CALM1 (0.46) CALM1BCL2BCL2L1TAAR1ALDH1A1
SCHEMBL3913574 0.76 LMNA (0.53) HTR2CALDH1A1HPGDLMNATSHR
SCHEMBL15170453 0.75 P2RX3 (0.42) ALDH1A1LMNATSHRPARP1
SCHEMBL16274651 0.74 SMN1; SMN2 (0.51) ALDH1A1HPGDKDM4ELMNAMAPK1
SCHEMBL28384228 0.72 TAAR1 (0.43) CALM1TAAR1HTR2CLTB4RALDH1A1
SCHEMBL31457102 0.72 CALM1 (0.41) CALM1TAAR1HTR2CLTB4RHPGD
SCHEMBL29044391 0.72 CALM1 (0.41) CALM1TAAR1HTR2CLTB4RHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
CN-101528702-A Quinoline compounds and methods of use ARRAY BIOPHARMA INC (US) 2009-09-09 CN disclosed
EP-2032538-A2 QUINOLINE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2009-03-11 EP disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 WO 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 (1 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-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 CALM1 862/4885BCL2 1507/4885BCL2L1 2096/4885

“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.