SCHEMBL3851702

SCHEMBL3851702

c1ccc(-c2cc([C@@H]3CCCN3)on2)nc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.51
CHRNA4 P43681 2/20 0.51
CHRM5 P08912 4/20 0.43
CHRM3 P20309 4/20 0.43
CHRM2 P08172 4/20 0.43
CHRM1 P11229 3/20 0.43
CHRM4 P08173 3/20 0.43
NR1H4 Q96RI1 1/20 0.41
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL3851207 1.00 CHRNB2 (0.51) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL3852603 0.96 CHRNB2 (0.47) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL4915985 0.90 KDM4E (0.41) CHRNB2CHRNA4NPC1ALDH1A1TP53
SCHEMBL4912545 0.90 KDM4E (0.41) CHRNB2CHRNA4NPC1ALDH1A1TP53
Trifluoroacetic Acid SCHEMBL5767459 0.89 CHRNB2 (0.45) CHRNB2CHRNA4
SCHEMBL3852788 0.85 CHRNB2 (0.51) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL3852786 0.85 CHRNB2 (0.51) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL16464687 0.82 NPC1 (0.51) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL16464688 0.82 NPC1 (0.51) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL3852291 0.81 CHRNB2 (0.42) CHRNB2CHRNA4CHRM5CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306116-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-7579349-B2 4-(pyrazol-3-ylamino) pyrimidine derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-25 US disclosed
EP-1678169-B1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-07-22 EP disclosed
US-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors ASRAZENECA (SE) 2008-07-17 US disclosed
EP-1931662-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY AstraZeneca AB (SE) 2008-06-18 EP disclosed
EP-1871771-A1 4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS AstraZeneca AB (SE) 2008-01-02 EP disclosed
WO-2007031745-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY ASTRAZENECA AB (SE) 2007-03-22 WO disclosed
US-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity ASTRAZENECA AB (SE) 2007-02-15 US disclosed
WO-2006109026-A1 4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-19 WO disclosed
EP-1678169-A1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2006-07-12 EP disclosed
WO-2005040159-A1 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2005-05-06 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 (3 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-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors IGF1R, IGFBP1, IRS1 CHRNB2 4564/4885CHRNA4 4629/4885CHRM5 4799/4885
US-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity IGF1R, IGFBP1, GPR119 CHRNB2 3865/4885CHRNA4 3879/4885CHRM5 3751/4885
US-20090306116-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY IGF1R, IGFBP1, IRS1 CHRNB2 4477/4885CHRNA4 4553/4885CHRM5 4491/4885

“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.