SCHEMBL19202377

SCHEMBL19202377

CC(=O)Nc1c(C)cc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1-c1ccc(Oc2ccccc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
MAPT P10636 2/20 0.41
TRPV3 Q8NET8 1/20 0.41
TP53 P04637 2/20 0.41
BTK Q06187 2/20 0.40
GPR119 Q8TDV5 4/20 0.40
CNR1 P21554 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR35 Q9HC97 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
CSF1R P07333 2/20 0.39
PRMT5 O14744 2/20 0.39
TNK2 Q07912 1/20 0.39
THRB P10828 1/20 0.39
KDR P35968 1/20 0.38

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
SCHEMBL19202375 0.88 GPR119 (0.44) JAK2JAK3PTK2TRPV3BTK
SCHEMBL19202371 0.81 BTK (0.52) JAK2JAK3PTK2BTKGPR119
SCHEMBL19202665 0.80 TP53 (0.44) MAPTTP53BTKGPR119NPSR1
SCHEMBL19203188 0.77 CHEK2 (0.45) MAPTTP53GPR119NPSR1PRMT5
SCHEMBL19203212 0.76 USP30 (0.44) TP53BTKNPSR1TNK2
SCHEMBL25523742 0.70 GPR119 (0.50) MAPTGPR119NPSR1THRB
SCHEMBL19202664 0.70 TNK2 (0.48) MAPTTP53BTKGPR119NPSR1
SCHEMBL31616130 0.69 NAMPT (0.61) MAPTBTKGPR119CSF1RTHRB
SCHEMBL16598006 0.69 BTK (0.71) MAPTBTKNPSR1PRMT5TNK2
SCHEMBL24083391 0.67 BTK (0.56) BTK

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 JAK2 4/4885JAK3 5/4885PTK2 127/4885
US-20190016721-A1 FUSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND USE THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BTK, SYK, JAK1 JAK2 4/4885JAK3 5/4885PTK2 127/4885

“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.