SCHEMBL3752006

SCHEMBL3752006

Cc1ncnn1-c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
XDH P47989 1/20 0.39
BRD4 O60885 1/20 0.37
PCSK9 Q8NBP7 1/20 0.36
ALDH1A1 P00352 5/20 0.36
ACHE P22303 1/20 0.36
PDE4D Q08499 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
RECQL P46063 1/20 0.35
NPBWR1 P48145 1/20 0.35

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
SCHEMBL15723543 0.83 XDH (0.45) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL24185658 0.80 NPC1 (0.40) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL21849283 0.80 CYP1A2 (0.41) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL31322984 0.79 NOS3 (0.44) SMN1; SMN2NPC1RAB9AXDHBRD4
SCHEMBL10166462 0.79 MAPK1 (0.41) SMN1; SMN2NPC1RAB9ALMNATSHR
Bromide SCHEMBL11384864 0.78 GRM1 (0.38) MAPTSMN1; SMN2NPC1RAB9ALMNA
Bromide SCHEMBL11376966 0.76 XDH (0.47) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL10153165 0.76 CCNA2 (0.38) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL3760153 0.76 PDE4D (0.36) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL12490105 0.74 MEN1 (0.50) MAPTSMN1; SMN2NPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO disclosed
US-4490530-A ANTIFUNGAL, ANTIBACTERIAL JANSSEN PHARMACEUTICA N.V. (BE) 1984-12-25 US disclosed
EP-0006711-B1 HETEROCYCLIC DERIVATIVES OF (4-PHENYLPIPERAZIN-1-YL-ARYLOXYMETHYL-1,3-DIOXOLAN-2-YL)-METHYL-1H-IMIDAZOLES AND 1H-1,2,4-TRIAZOLES, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-10-26 EP disclosed
US-4368200-A BACTERICIDES, FUNGICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-11 US disclosed
US-4267179-A AS FUNGICIDES AND BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1981-05-12 US disclosed
EP-0006711-A1 Heterocyclic derivatives of (4-phenylpiperazin-1-yl-aryloxymethyl-1,3-dioxolan-2-yl)-methyl-1H-imidazoles and 1H-1,2,4-triazoles, processes for preparing them and compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 EP 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 (2 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-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPT 1055/4885SMN1; SMN2 3989/4885NPC1 2489/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPT 1055/4885SMN1; SMN2 3989/4885NPC1 2489/4885

“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.