SCHEMBL414719

SCHEMBL414719

c1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
RAB9A P51151 3/20 0.70
NPC1 O15118 2/20 0.70
CYP1A2 P05177 5/20 0.61
CYP2C19 P33261 4/20 0.61
CYP2D6 P10635 4/20 0.61
CLK4 Q9HAZ1 4/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPK1 P28482 2/20 0.61
CYP3A4 P08684 2/20 0.61
TSHR P16473 2/20 0.61
TNNI3K Q59H18 2/20 0.58
TP53 P04637 2/20 0.57
USP2 O75604 2/20 0.57
EGFR P00533 4/20 0.57
ERBB3 P21860 3/20 0.57
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALPG P10696 1/20 0.54

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
SCHEMBL3431925 0.87 CDK1 (0.60) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL18559680 0.86 MEN1 (0.56) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL857502 0.86 NPC1 (0.63) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL856156 0.86 MEN1 (0.56) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL691596 0.85 MEN1 (0.67) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL2305280 0.84 TP53 (0.74) MEN1KMT2ARAB9ANPC1CYP1A2
Hydrochloric Acid SCHEMBL2176643 0.84 NPC1 (0.61) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL12487147 0.82 NPC1 (0.64) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL2173971 0.82 EGFR (0.72) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL2176219 0.82 EGFR (0.67) MEN1KMT2ARAB9ANPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735438-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS Merck Patent GmbH (DE) 2026-05-06 EP disclosed
WO-2025006783-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS MERCK PATENT GMBH (DE) 2025-01-02 WO disclosed
US-11254696-B2 Dianilinopyrimidine compound for inhibiting kinase activity SHENZHEN TARGETRX, INC. (CN) 2022-02-22 US disclosed
US-8598171-B2 Compositions and methods for prevention and treatment of amyloid-β peptide-related disorders INTRA-CELLULAR THERAPIES, INC. (US) 2013-12-03 US disclosed
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US disclosed
US-20110312093-A1 COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF AMYLOID-BETA PEPTIDE-RELATED DISORDERS NETZER WILLIAM (US) 2011-12-22 US disclosed
US-20110275640-A1 Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound BTG INTERNATIONAL LTD. (GB) 2011-11-10 US disclosed
US-20110275641-A1 Preventives or remedies for Alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound BTG INTERNATIONAL LTD. (GB) 2011-11-10 US disclosed
US-20030199002-A1 Clk-2 nucleic acids, polypeptides and uses thereof MMV FINANCIAL INC. (CA) 2003-10-23 US disclosed
WO-2003057165-A2 COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF AMYLOID-β PEPTIDE-RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2003-07-17 WO disclosed
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
CN-1047778-C Pyrimido [5-4-d] pyrimidines, drugs containing these compounds, their use and process for preparing them THOMAE GMBH DR K (DE) 1999-12-29 CN disclosed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US disclosed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US disclosed
EP-0779888-A1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-06-25 EP disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996007657-A1 PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-03-14 WO disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 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 (4 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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 MEN1 2424/4885KMT2A 2202/4885RAB9A 3526/4885
US-20110275641-A1 Preventives or remedies for Alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound APP, BACE1, PSEN1 MEN1 2812/4885KMT2A 2224/4885RAB9A 2624/4885
US-11254696-B2 Dianilinopyrimidine compound for inhibiting kinase activity ALK, BRAF, MUSK MEN1 1709/4885KMT2A 1403/4885RAB9A 3256/4885
US-20110275640-A1 Preventives or remedies for alzheimer's disease, or amyloid protein fibril-formation inhibitors, which include a nitrogen-containing heteroaryl compound APP, BACE1, PSEN1 MEN1 2812/4885KMT2A 2224/4885RAB9A 2624/4885

“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.