SCHEMBL12123761

SCHEMBL12123761

O=C(CCN1Cc2ccccc2C1)c1ccc2ccccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
HSD17B10 Q99714 2/20 0.62
LMNA P02545 2/20 0.62
USP2 O75604 1/20 0.62
MAPT P10636 1/20 0.62
HTT P42858 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HTR1A P08908 3/20 0.60
POLB P06746 1/20 0.56
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
HRH4 Q9H3N8 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PTPN1 P18031 1/20 0.51
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL12123654 0.91 ALDH1A1 (0.66) ALDH1A1LMNAMAPTHTTHTR1A
SCHEMBL12123652 0.84 HTR1A (0.69) ALDH1A1HTR1APOLBKDM4EHPGD
SCHEMBL10257007 0.84 HTR1A (0.68) ALDH1A1HTR1APOLBKDM4EHPGD
SCHEMBL1332779 0.82 ALDH1A1 (0.68) ALDH1A1LMNAMAPTHTTHTR1A
SCHEMBL22651528 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10LMNAUSP2MAPT
SCHEMBL12123907 0.80 HTR1A (0.64) ALDH1A1HTR1APOLBKDM4EHPGD
SCHEMBL12123921 0.80 HTR1A (0.64) ALDH1A1HTR1APOLBKDM4EHPGD
SCHEMBL12123765 0.80 ALDH1A1 (0.69) ALDH1A1LMNAMAPTHTTHTR1A
SCHEMBL12123924 0.79 HTR1A (0.62) ALDH1A1HTR1APOLBKDM4EHPGD
SCHEMBL12123762 0.78 ALDH1A1 (0.74) ALDH1A1LMNAMAPTHTTHTR1A

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
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
EP-2865381-A1 ITK inhibitors for treating blood cell malignancies Pharmacyclics, Inc. (US) 2015-04-29 EP disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US disclosed
WO-2007136790-A2 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2007-11-29 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 (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-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK ALDH1A1 4370/4885HSD17B10 4425/4885LMNA 4556/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885HSD17B10 4425/4885LMNA 4556/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885HSD17B10 4425/4885LMNA 4556/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885HSD17B10 4425/4885LMNA 4556/4885

“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.