SCHEMBL1284599

SCHEMBL1284599

NC(=O)CC(n1ccc2cnc(Nc3ccc4ncccc4c3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.44
▸ MAPK8 P45983 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ PTK2 Q05397 2/20 0.38
▸ MAPK7 Q13164 1/20 0.38
▸ AURKA O14965 3/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ ULK1 O75385 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
SCHEMBL1284702 0.91 SYK (0.42) SYKMAPK8ALDH1A1NPC1MAPT
SCHEMBL1284926 0.87 CDK4 (0.40) AURKACDK4CDK2CDK5EGFR
SCHEMBL1285558 0.84 CDK4 (0.45) SYKMAPK8JAK2JAK3AURKA
SCHEMBL1284479 0.84 SYK (0.44) SYKMAPK8POLBJAK2JAK3
SCHEMBL1284750 0.84 MAP3K5 (0.46) JAK2JAK3PTK2AURKACDK4
SCHEMBL1284762 0.83 SYK (0.41) SYKALDH1A1NPC1MAPTJAK2
SCHEMBL1285070 0.83 CDK4 (0.45) SYKMAPK8JAK2JAK3AURKA
SCHEMBL1284954 0.82 SYK (0.42) SYKJAK2JAK3AURKACDK4
SCHEMBL1285497 0.82 MAP3K5 (0.46) JAK2JAK3PTK2AURKACDK4
SCHEMBL1284597 0.82 SYK (0.46) SYKJAK2JAK3AURKACDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 — — US claimed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 — — US disclosed
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 — — EP 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-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MARK3, MAPK8, CDK8 SYK 230/4885MAPK8 2/4885ALDH1A1 4193/4885

“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.

Send feedback