SCHEMBL19725720

SCHEMBL19725720

Cc1cn2nc([C@@H]3CCCCN3)cc2nc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.35
NR1H4 Q96RI1 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
POLB P06746 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2C9 P11712 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MAP4K1 Q92918 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL2737972 0.87 PDCD1LG2 (0.33) IKBKBNR1H4MEN1KMT2ACYP2D6
SCHEMBL2738088 0.87 PDCD1LG2 (0.33) IKBKBNR1H4MEN1KMT2ACYP2D6
SCHEMBL22788673 0.87 IKBKB (0.36) IKBKBNR1H4MEN1KMT2ACYP2D6
SCHEMBL16807820 0.87 PDCD1LG2 (0.33) IKBKBNR1H4MEN1KMT2ACYP2D6
SCHEMBL17827753 0.84 NPY5R (0.33) IKBKBKDM4EALDH1A1HSD17B10CHRM3
SCHEMBL2760302 0.84 NPY5R (0.33) IKBKBKDM4EALDH1A1HSD17B10CHRM3
SCHEMBL252605 0.81 CHRM3 (0.32) IKBKBCHRM3
SCHEMBL252604 0.81 CHRM3 (0.32) IKBKBCHRM3
SCHEMBL19730744 0.80 JAK3 (0.31)
SCHEMBL19099851 0.79 AKT1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 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-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS IKBKB 2799/4885NR1H4 2369/4885MEN1 3578/4885

“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.