SCHEMBL4861518

SCHEMBL4861518

CCOc1ccc2nc(NC(CCO)CCO)ncc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ KCNH2 Q12809 3/20 0.40
▸ RPS6KA4 O75676 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ CSNK1E P49674 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ MAPK11 Q15759 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ NLK Q9UBE8 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HTT P42858 2/20 0.39

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
SCHEMBL14003203 0.78 PDE3B (0.48) POLBPDE3BPDE3AMEN1KMT2A
SCHEMBL31391456 0.70 PDE3B (0.48) PDE3BPDE3AMEN1KMT2AHTT
SCHEMBL4857055 0.69 KMT2A (0.53) PDE3BPDE3AMEN1KMT2AHTT
SCHEMBL4857693 0.69 PDE3B (0.45) POLBPDE3BPDE3AKCNH2MAPK14
SCHEMBL4851388 0.69 PDE3B (0.40) POLBPDE3BPDE3AMEN1KMT2A
SCHEMBL28243443 0.65 EGFR (0.70) PDE3BPDE3ACYP2D6MEN1KMT2A
SCHEMBL25107029 0.64 SYK (0.38) RPS6KB1MAPK1
SCHEMBL18250877 0.64 MAP4K4 (0.47) PDE3BPDE3AMAPK10MEN1KMT2A
SCHEMBL29629327 0.63 NQO1 (0.68) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3825385 0.63 NQO1 (0.68) MEN1KMT2AALDH1A1MAPTHPGD

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-7456185-B2 Substituted quinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2008-11-25 — — US disclosed
US-20070167471-A1 Substituted quinazoline compounds useful as p38 kinase inhibitors DUNN JAMES P 2007-07-19 — — US disclosed
US-7238698-B2 Substituted quinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2007-07-03 — — 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 (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-20070167471-A1 Substituted quinazoline compounds useful as p38 kinase inhibitors MAPK1, MAPK7, MAPK3 POLB 1701/4885PDE3B 997/4885PDE3A 1076/4885

“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