SCHEMBL22461525

SCHEMBL22461525

CCOC(=O)c1cnc2c(-c3cccc(F)c3)c(N)nn2c1C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 6/20 0.58
▸ MAPT P10636 6/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ KDM4E B2RXH2 6/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ HPGD P15428 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ NFKB2 Q00653 2/20 0.46
▸ RELA Q04206 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ STAT1 P42224 1/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL20768147 0.89 MAPT (0.56) CSNK1DMAPTALDH1A1KDM4ETSHR
SCHEMBL19464265 0.88 KDM4E (0.49) CSNK1DMAPTALDH1A1KDM4ETSHR
SCHEMBL19463668 0.83 ALDH1A1 (0.46) CSNK1DMAPTALDH1A1KDM4ETSHR
SCHEMBL20768115 0.80 MAPT (0.50) CSNK1DMAPTALDH1A1KDM4ETSHR
SCHEMBL19464050 0.79 MAPT (0.49) CSNK1DMAPTALDH1A1KDM4ETSHR
SCHEMBL22280894 0.79 KDM4E (0.57) CSNK1DMAPTALDH1A1KDM4ETSHR
SCHEMBL19464076 0.78 ALDH1A1 (0.47) CSNK1DMAPTALDH1A1KDM4ETSHR
SCHEMBL20768159 0.77 ALDH1A1 (0.51) CSNK1DMAPTALDH1A1KDM4ETSHR
SCHEMBL19463978 0.76 KDM4E (0.43) CSNK1DMAPTALDH1A1KDM4ETSHR
SCHEMBL19463512 0.75 KDM4E (0.43) CSNK1DMAPTALDH1A1KDM4ETSHR

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-11001590-B2 Pyrazolopyrimidine derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-05-11 — — US disclosed
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-09-24 — — 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 (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-11001590-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 CSNK1D 2054/4885MAPT 4495/4885ALDH1A1 1228/4885
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 CSNK1D 1548/4885MAPT 4346/4885ALDH1A1 1241/4885

“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.

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