Sugi Predict

Sugi Predict / Compounds / SCHEMBL14243162

SCHEMBL14243162

SCHEMBL14243162

CCc1ccc(-n2cncc2CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.43
▸ CYP11B2 P19099 3/20 0.43
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NOS1 P29475 3/20 0.36
▸ COMT P21964 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ GRM1 Q13255 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RECQL P46063 1/20 0.34

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
SCHEMBL27937753 0.83 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9TP53SMN1; SMN2
SCHEMBL1698952 0.79 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4CYP2D6CYP2C9
SCHEMBL4833974 0.79 CYP11B1 (0.44) CYP11B1CYP11B2CYP3A4CYP2D6CYP2C9
SCHEMBL4003305 0.79 CYP11B1 (0.44) CYP11B1CYP11B2CYP3A4CYP2D6CYP2C9
SCHEMBL2359179 0.79 NOS1 (0.52) CYP11B1CYP11B2NOS1COMTRAB9A
SCHEMBL25442765 0.77 CYP3A4 (0.59) CYP11B1CYP11B2CYP3A4CYP2D6CYP2C9
SCHEMBL16100223 0.77 CYP11B2 (0.61) CYP11B1CYP11B2
SCHEMBL20599514 0.72 NPC1 (0.40) CYP11B1CYP11B2CYP3A4CYP2D6CYP2C9
SCHEMBL10872204 0.72 CYP2C19 (0.38) CYP11B1CYP11B2SMN1; SMN2NOS1ALDH1A1
SCHEMBL14167337 0.72 CYP11B1 (0.41) CYP11B1CYP11B2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829010-B2 Pyrazolo[3,4-d]pyrimidine compounds and their use as PDE2 inhibitors and/or CYP3A4 inhibitors PFIZER INC. (US) 2014-09-09 — — US disclosed
US-8829010-B2 Pyrazolo[3,4-d]pyrimidine compounds and their use as PDE2 inhibitors and/or CYP3A4 inhibitors PFIZER INC. (US) 2014-09-09 — — US disclosed
US-20140080806-A1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS HELAL CHRISTOPHER JOHN (US) 2014-03-20 — — US disclosed
US-20140080806-A1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS HELAL CHRISTOPHER JOHN (US) 2014-03-20 — — US disclosed
WO-2012168817-A1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS PFIZER INC. (US) 2012-12-13 — — 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 (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-20140080806-A1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS PDE12, PDE2A, CYP1A2 CYP11B1 51/4885CYP11B2 16/4885CYP3A4 23/4885

“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.