SCHEMBL1354014

SCHEMBL1354014

CCOC(=O)c1cnn(-c2cccc(OC)c2)c1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
HTT P42858 2/20 0.60
RAB9A P51151 2/20 0.60
NPSR1 Q6W5P4 3/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 1/20 0.48
THRB P10828 1/20 0.47
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL1355251 0.91 ALDH1A1 (0.68) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL1355773 0.81 ALDH1A1 (0.59) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL22805526 0.81 ALDH1A1 (0.60) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL24218363 0.80 ALDH1A1 (0.59) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL174531 0.80 ALDH1A1 (0.59) ALDH1A1HTTRAB9AKDM4ESMN1; SMN2
SCHEMBL25344208 0.80 ALDH1A1 (0.57) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL8696809 0.78 ALDH1A1 (0.71) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL6314704 0.76 RAB9A (0.59) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL8693125 0.76 ALDH1A1 (0.70) ALDH1A1HTTRAB9ANPSR1KDM4E
SCHEMBL3868209 0.75 ALDH1A1 (0.52) ALDH1A1HTTRAB9ANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US disclosed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP disclosed
EP-2108019-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP disclosed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO disclosed
WO-2008094575-A2 1-H-PYRAZOLO(3,4B)PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 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 (3 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 ALDH1A1 4063/4885HTT 4382/4885RAB9A 2076/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B ALDH1A1 4286/4885HTT 3874/4885RAB9A 2269/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 ALDH1A1 4063/4885HTT 4382/4885RAB9A 2076/4885

“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.