SCHEMBL29576366

SCHEMBL29576366

c1ccc2nc(Nc3ccc(-n4ccnc4)cc3)ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
NPC1 O15118 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
CYP19A1 P11511 2/20 0.48
CYP3A4 P08684 2/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
ABL1 P00519 1/20 0.46
PDGFRB P09619 1/20 0.46
BCR P11274 1/20 0.46

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
SCHEMBL29575640 0.79 MKNK1 (0.58) ROCK1MAP3K5MAP4K1
SCHEMBL27770482 0.76 MAP3K5 (0.60) NPC1RAB9ACYP3A4MEN1ALOX15
Benzene SCHEMBL28188863 0.76 MAP3K5 (0.60) NPC1RAB9ACYP3A4MEN1ALOX15
SCHEMBL167891 0.76 MAP3K5 (0.60) NPC1RAB9ACYP3A4MEN1ALOX15
SCHEMBL31381352 0.76 MAP3K5 (0.60) NPC1RAB9ACYP3A4MEN1ALOX15
SCHEMBL4573935 0.75 MAP3K5 (0.58) NPC1RAB9ACYP3A4MEN1ALOX15
Hydrochloric Acid SCHEMBL8807679 0.75 MAP3K5 (0.58) NPC1RAB9ACYP3A4MEN1ALOX15
SCHEMBL28484940 0.75 CYP3A4 (0.71) CYP11B1CYP11B2NPC1CASP3RAB9A
SCHEMBL7535971 0.74 ABL1 (0.55) CYP3A4ABL1PDGFRBBCRSRC
SCHEMBL6033965 0.74 KDR (0.68) RAB9AMEN1ALOX15TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260102406-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA INC (US) 2026-04-16 US disclosed
US-12403145-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC (US) 2025-09-02 US disclosed
US-20240197752-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA INC 2024-06-20 US disclosed
US-11865120-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2024-01-09 US disclosed
US-20220354864-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA, INC. 2022-11-10 US disclosed
US-11304957-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2022-04-19 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 (6 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-20240197752-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 CYP11B1 3734/4885CYP11B2 3639/4885NPC1 3185/4885
US-11865120-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 CYP11B1 3734/4885CYP11B2 3639/4885NPC1 3185/4885
US-12403145-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 CYP11B1 3734/4885CYP11B2 3639/4885NPC1 3185/4885
US-11304957-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 CYP11B1 3734/4885CYP11B2 3639/4885NPC1 3185/4885
US-20220354864-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 CYP11B1 3734/4885CYP11B2 3639/4885NPC1 3185/4885
US-20260102406-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY BRAF, TTK, MAP4K2 CYP11B1 3112/4885CYP11B2 2899/4885NPC1 3197/4885

“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.