SCHEMBL3723958

SCHEMBL3723958

N=C(NOC(=O)ONC(=N)Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 3/20 0.50
EPHX1 P07099 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
EPHX2 P34913 1/20 0.50
CDK9 P50750 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
F13A1 P00488 1/20 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
SCHEMBL11154593 0.85 NAPRT (0.53) NAPRTHSD17B10POLBEPHX1TP53
SCHEMBL3969793 0.81 NPC1 (0.55) HSD17B10EPHX1TSHREPHX2SMN1; SMN2
SCHEMBL3973745 0.81 ALDH1A1 (0.55) POLBSMN1; SMN2MAPTGAANPC1
SCHEMBL15057749 0.79 MEN1 (0.59) HSD17B10MAPTGAANPC1RAB9A
Oxalic Acid SCHEMBL30876191 0.79 SMN1; SMN2 (0.58) NAPRTHSD17B10POLBEPHX1TP53
SCHEMBL3975948 0.78 NPC1 (0.59) POLBTP53SMN1; SMN2MAPTNPC1
Benzene SCHEMBL27899223 0.78 HSD17B10 (0.55) NAPRTHSD17B10POLBEPHX1TP53
SCHEMBL35172 0.78 HSD17B10 (0.55) NAPRTHSD17B10POLBEPHX1TP53
SCHEMBL20163213 0.78 HSD17B10 (0.55) NAPRTHSD17B10POLBEPHX1TP53
SCHEMBL10591421 0.78 PHGDH (0.47) NAPRTHSD17B10POLBEPHX1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-7427626-B2 2-Anilino-4-(imidazol-5-yl)-pyrimidine derivatives and their use as cdk (cdk2) inhibitors ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20070037839-A1 useful in Pharmaceutical medicines or pharmacological tools; cytostatic agents; antiproliferative/antineoplastic agents; 2-Anilino-4-[1-isopropyl-2-(hydroxyiminomethyl)imidazol-5-yl]pyrimidine; rheumatoid arthritis; breast cancer ASTRAZENECA AB (SE) 2007-02-15 US disclosed
EP-1631566-A1 2-ANILINO-4-(IMIDAZOL-5-YL)-PYRIMIDINE DERIVATIVES AND THEIR USE AS CDK (CDK2) INHIBITORS Astrazeneca AB (SE) 2006-03-08 EP disclosed
WO-2004101549-A1 2-ANILINO-4-(IMIDAZOL-5-YL)-PYRIMIDINE DERIVATIVES AND THEIR USE AS CDK (CDK2) INHIBITORS ASTRAZENECA AB (SE) 2004-11-25 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 (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-20070037839-A1 useful in Pharmaceutical medicines or pharmacological tools; cytostatic agents; antiproliferative/antineoplastic agents; 2-Anilino-4-[1-isopropyl-2-(hydroxyiminomethyl)imidazol-5-yl]pyrimidine; rheumatoid arthritis; breast cancer MKI67, CCNI, TYMP NAPRT 712/4885HSD17B10 1648/4885POLB 799/4885
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 NAPRT 745/4885HSD17B10 3910/4885POLB 295/4885

“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.