SCHEMBL19202630

SCHEMBL19202630

COC(=O)c1ccc(-c2nc(Cl)cc3cn[nH]c23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.50
RHEB Q15382 1/20 0.44
MAPK1 P28482 1/20 0.44
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
DHODH Q02127 1/20 0.41
TGFBR1 P36897 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CSNK2A1 P68400 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAF1 P04049 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL19202627 0.73 MAP2K4 (0.47) MAP2K4RHEBDHODHALDH1A1KDM4E
SCHEMBL23063836 0.72 GSK3B (0.56) NPC1RAB9AKDRMAPK14CYP19A1
SCHEMBL30079151 0.71 CA1 (0.57) MAP2K4MAPK1DHODHALDH1A1KDM4E
SCHEMBL19202631 0.70 ALDH1A1 (0.46) MAP2K4RHEBMAPK1CSNK2A2CSNK2B
SCHEMBL15687279 0.70 ACACB (0.51) ALDH1A1KDM4EACACBACACA
SCHEMBL11577765 0.70 TSHR (0.49) MAPK1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL18301340 0.69 KDM4E (0.44) MAPK1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL15683151 0.69 KDM4E (0.44) MAPK1ALDH1A1KDM4EKMT2AACACB
SCHEMBL1080968 0.69 TSHR (0.47) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18339224 0.69 MAPK1 (0.48) MAP2K4MAPK1TGFBR1ALDH1A1KDM4E

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-10336755-B2 Fused pyrazole derivatives, preparation method thereof, and use thereof in treatment of cancers, inflammation and immune diseases BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-07-02 US disclosed
US-20190016721-A1 FUSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND USE THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-01-17 US disclosed
WO-2017128917-A1 PARAZOLE CONDENSED-RING DERIVATIVES AND PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES 北京诺诚健华医药科技有限公司 2017-08-03 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 (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-10336755-B2 Fused pyrazole derivatives, preparation method thereof, and use thereof in treatment of cancers, inflammation and immune diseases BTK, SYK, JAK1 MAP2K4 391/4885RHEB 1405/4885MAPK1 177/4885
US-20190016721-A1 FUSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND USE THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BTK, SYK, JAK1 MAP2K4 391/4885RHEB 1405/4885MAPK1 177/4885

“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.