SCHEMBL3853657

SCHEMBL3853657

c1nc(-c2cc([C@@H]3CCCN3)on2)cs1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRM5 P08912 5/20 0.38
CHRM3 P20309 5/20 0.38
CHRM2 P08172 5/20 0.38
CHRM1 P11229 4/20 0.38
CHRM4 P08173 4/20 0.38
IRAK4 Q9NWZ3 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33

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
SCHEMBL3853661 1.00 CHRNB2 (0.40) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL3852786 0.77 CHRNB2 (0.51) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL3852788 0.77 CHRNB2 (0.51) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL16464687 0.77 NPC1 (0.51) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL16464688 0.77 NPC1 (0.51) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL3851504 0.77 CHRNB2 (0.42) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL3852291 0.77 CHRNB2 (0.42) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL3852286 0.77 CHRNB2 (0.42) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL3851702 0.77 CHRNB2 (0.51) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL3851501 0.77 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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

“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.