SCHEMBL5352392

SCHEMBL5352392

O=C(Nc1cc(C(=O)N2CCCCC2)ccn1)Nc1csc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.54
CDK5R1 Q15078 9/20 0.54
CDK2 P24941 4/20 0.52
CCNA2 P20248 3/20 0.52
CCNA1 P78396 3/20 0.52
HPGD P15428 7/20 0.46
CNR1 P21554 1/20 0.43
PIN1 Q13526 1/20 0.43
DYRK1A Q13627 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CDK9 P50750 1/20 0.43
CDK6 Q00534 1/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL5342338 0.93 CDK5 (0.57) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL5352431 0.84 HPGD (0.44) CDK2HPGDCCNT1CDK1CDK4
SCHEMBL5343009 0.84 PROKR1 (0.44) CDK2HPGDCCNT1CDK1CDK4
SCHEMBL5342111 0.83 CDK5 (0.53) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL5342342 0.78 CDK5 (0.54) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL5383590 0.76 CDK5 (0.60) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL5339185 0.73 IRAK4 (0.51) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL34463039 0.73 MAPT (0.68) HPGDMEN1NPC1ALDH1A1RAB9A
SCHEMBL3543198 0.72 HTR2C (0.63) HPGDPIN1MEN1NPC1ALDH1A1
SCHEMBL3547467 0.72 HTR2C (0.63) HPGDPIN1MEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP claimed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US claimed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US claimed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US claimed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO claimed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US claimed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 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 (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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885CDK2 166/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885CDK2 166/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885CDK2 166/4885

“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.