SCHEMBL221530

SCHEMBL221530

Nc1nnc(N)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
CYP3A4 P08684 4/20 0.46
GAA P10253 3/20 0.46
PDPK1 O15530 1/20 0.46
GPR3 P46089 1/20 0.45
ALDH1A1 P00352 8/20 0.44
HSD17B10 Q99714 6/20 0.44
MAPT P10636 4/20 0.44
NCF1 P14598 2/20 0.44
DCPS Q96C86 1/20 0.44
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
F12 P00748 1/20 0.44
PLAU P00749 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL31416835 1.00 KDM4E (1.00) KDM4ECYP3A4GAAPDPK1GPR3
SCHEMBL2578812 0.84 KDM4E (0.71) KDM4EGPR3ALDH1A1HSD17B10HPGD
SCHEMBL30451373 0.84 KDM4E (0.71) KDM4EGPR3ALDH1A1HSD17B10HPGD
SCHEMBL2020349 0.84 KDM4E (0.71) KDM4ECYP3A4GAAPDPK1ALDH1A1
SCHEMBL31132418 0.81 KDM4E (0.65) KDM4EALDH1A1MAPTSMARCA2SMARCA4
SCHEMBL219856 0.81 KDM4E (0.65) KDM4EALDH1A1MAPTSMARCA2SMARCA4
SCHEMBL15721355 0.81 ALDH1A1 (0.78) KDM4ECYP3A4GAAPDPK1ALDH1A1
SCHEMBL30014143 0.79 KDM4E (0.62) KDM4ECYP3A4GAAPDPK1ALDH1A1
SCHEMBL30453263 0.79 KDM4E (0.62) KDM4ECYP3A4GAAPDPK1ALDH1A1
SCHEMBL2946369 0.79 KDM4E (0.62) KDM4ECYP3A4GAAPDPK1ALDH1A1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4349671-A Process for the production of metal complexes of isoindoline azines CIBA-GEIGY CORPORATION (US) 1982-09-14 US claimed
US-20250270220-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2025-08-28 US disclosed
US-12304915-B2 SOS1 inhibitors Mirati Therapeutics, Inc. (US) 2025-05-20 US disclosed
US-20230137886-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. 2023-05-04 US disclosed
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
US-8728453-B2 Combinatorial polymeric compositions for drug delivery INNOVOTECH, LLC (US) 2014-05-20 US disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 US disclosed
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
EP-0036835-B1 PROCESS FOR THE PREPARATION OF METAL COMPLEXES OF ISOINDOLINE AZINES CIBA-GEIGY AG (CH) 1983-09-28 EP disclosed
US-4385174-A FOR PIGMENTS CIBA-GEIGY CORPORATION (US) 1983-05-24 US disclosed
US-4349671-A Process for the production of metal complexes of isoindoline azines CIBA-GEIGY CORPORATION (US) 1982-09-14 US disclosed
EP-0036835-A1 Process for the preparation of metal complexes of isoindoline azines CIBA-GEIGY AG (CH) 1981-09-30 EP disclosed
EP-0036834-A1 Process for the preparation of metal complexes of isoindoline azines CIBA-GEIGY AG (CH) 1981-09-30 EP disclosed
EP-0036387-A2 Process for the preparation of hydrazono-isoindolines CIBA-GEIGY AG (CH) 1981-09-23 EP disclosed
EP-0036388-A2 Isoindoline derivatives, process for their preparation and their use CIBA-GEIGY AG (CH) 1981-09-23 EP disclosed
US-4289772-A PHOSPHODIESTERASE INHIBITORS PFIZER INC. (US) 1981-09-15 US disclosed
US-3878211-A Process for the manufacture of 1,4-diaminophthaiazine DYNAMIT NOBEL AG 1975-04-15 US disclosed
US-3878211-A Process for the manufacture of 1,4-diaminophthaiazine DYNAMIT NOBEL AG 1975-04-15 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 (5 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-20140336182-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, CDK1 KDM4E 1131/4885CYP3A4 3294/4885GAA 1887/4885
US-12304915-B2 SOS1 inhibitors SOS1, SOS2, SAV1 KDM4E 3245/4885CYP3A4 4860/4885GAA 2747/4885
US-20230137886-A1 SOS1 INHIBITORS SOS1, SOS2, SAV1 KDM4E 3245/4885CYP3A4 4860/4885GAA 2747/4885
US-20250270220-A1 SOS1 INHIBITORS SOS1, SOS2, SAV1 KDM4E 3245/4885CYP3A4 4860/4885GAA 2747/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 KDM4E 1131/4885CYP3A4 3294/4885GAA 1887/4885

“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.