SCHEMBL21775635

SCHEMBL21775635

CSc1c(C)nc2cc(-c3ccc(C(F)(F)F)cc3Cl)nn2c1N1CCCC(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 3/20 0.38
MAPT P10636 2/20 0.38
SYK P43405 2/20 0.38
NOTUM Q6P988 6/20 0.37
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
MPL P40238 1/20 0.35
ENPP2 Q13822 1/20 0.35
IL1B P01584 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL21775787 0.91 IDH2 (0.42) IDH2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL21775694 0.90 KDM4E (0.46) IDH2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL21775685 0.89 KDM4E (0.46) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL21774117 0.88 KDM4E (0.44) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL21775865 0.87 IDH2 (0.47) IDH2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL21774100 0.85 KDM4E (0.45) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL21774123 0.84 KDM4E (0.56) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL21775583 0.84 KDM4E (0.56) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL21775789 0.84 KDM4E (0.47) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL21775878 0.82 KDM4E (0.47) KDM4EALDH1A1HSD17B10MEN1KMT2A

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-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives RICHTER GEDEON NYRT. (HU) 2021-03-30 US disclosed
US-20200061068-A1 Pharmacologically Active Aryl-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives RICHTER GEDEON NYRT. (HU) 2020-02-27 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-20200061068-A1 Pharmacologically Active Aryl-Substituted Pyrazolo[1,5-a]Pyrimidine Derivatives GABRA5, P2RX5, P2RY1 IDH2 2887/4885KDM4E 2972/4885ALDH1A1 585/4885
US-10960007-B2 Pharmacologically active aryl-substituted pyrazolo[1,5-a]pyrimidine derivatives GABRA5, P2RX5, P2RY1 IDH2 2887/4885KDM4E 2972/4885ALDH1A1 585/4885

“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.