SCHEMBL3852286

SCHEMBL3852286

c1cnc(-c2cc([C@@H]3CCCN3)on2)cn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNA7 P36544 2/20 0.42
MEN1 O00255 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CHRM5 P08912 5/20 0.37
CHRM3 P20309 5/20 0.37
CHRM2 P08172 5/20 0.37
CHRM1 P11229 4/20 0.37
CHRM4 P08173 4/20 0.37
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL3852291 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL3851702 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7SMN1; SMN2CHRM5
SCHEMBL3851207 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7SMN1; SMN2CHRM5
SCHEMBL11836404 0.79 IGF1R (0.40) CYP1A2
SCHEMBL4036212 0.79 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL3852786 0.79 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7CHRM5CHRM3
SCHEMBL3852788 0.79 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7CHRM5CHRM3
SCHEMBL3920167 0.77 CHRM2 (0.41) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL3917386 0.77 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7CYP1A2CHRM5
SCHEMBL3852603 0.77 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7MEN1CYP2D6

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 5 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
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 (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 3879/4885CHRNA7 3426/4885

“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.