SCHEMBL19203201

SCHEMBL19203201

c1cc(-c2nc(C3CCCNC3)cc3cn[nH]c23)ccc1CN1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.66
KDM1A O60341 1/20 0.41
FLT3 P36888 1/20 0.41
TGFBR1 P36897 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
JAK2 O60674 2/20 0.38
ROCK2 O75116 1/20 0.38
CHEK1 O14757 3/20 0.37
CDK7 P50613 1/20 0.37
SLC2A1 P11166 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
AURKA O14965 2/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
JAK3 P52333 1/20 0.36
MAP4K4 O95819 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 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
SCHEMBL28686072 0.82 BTK (0.82) BTKFLT3TGFBR1HRH3ROCK2
SCHEMBL19202582 0.80 BTK (1.00) BTKFLT3HRH3ROCK2CDK2
SCHEMBL29129225 0.78 BTK (0.56) BTKTGFBR1HRH3JAK2CHEK1
SCHEMBL19203196 0.78 BTK (0.74) BTKFLT3JAK2ROCK2CDK2
SCHEMBL19202654 0.75 BTK (0.59) BTKCHEK1CCNA2CDK2CCNA1
SCHEMBL24083375 0.75 BTK (0.57) BTKTGFBR1ROCK2AKT1AKT2
SCHEMBL19203183 0.69 BTK (0.56) BTK
SCHEMBL19409822 0.67 HRH3 (0.59) TGFBR1HRH3JAK2CHEK1CDK7
SCHEMBL11930851 0.66 CHEK1 (0.70) CHEK1CCNA2CDK2CCNA1
SCHEMBL1936159 0.64 CXCR4 (0.57) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602818-B Pyrazole fused ring derivatives, preparation method thereof and application thereof in treating cancer, inflammation and immune diseases 北京诺诚健华医药科技有限公司 2021-12-21 CN disclosed
EP-3409672-B1 PARAZOLE CONDENSED-RING DERIVATIVES AND PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2021-12-08 EP disclosed
EP-3409672-B1 PARAZOLE CONDENSED-RING DERIVATIVES AND PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2021-12-08 EP disclosed
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-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
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
EP-3409672-A1 PARAZOLE CONDENSED-RING DERIVATIVES AND PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2018-12-05 EP 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 BTK 1/4885KDM1A 1604/4885FLT3 13/4885
US-20190016721-A1 FUSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND USE THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BTK, SYK, JAK1 BTK 1/4885KDM1A 1604/4885FLT3 13/4885

“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.