SCHEMBL19202372

SCHEMBL19202372

Fc1cc(Oc2ccccc2)ccc1-c1nc(C2CCNCC2)cc2cn[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.46
TNK2 Q07912 2/20 0.41
SLC6A2 P23975 9/20 0.39
SLC6A4 P31645 9/20 0.39
SLC6A3 Q01959 9/20 0.39
HTR1A P08908 8/20 0.39
PRMT5 O14744 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
MAPK14 Q16539 1/20 0.34
SCN9A Q15858 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL19202373 0.82 BTK (0.52) BTK
SCHEMBL19202371 0.81 BTK (0.52) BTKTNK2PRMT5
SCHEMBL19203183 0.80 BTK (0.56) BTKTNK2SLC6A2SLC6A4SLC6A3
SCHEMBL19202667 0.74 BTK (0.47) BTKTNK2SLC6A2SLC6A4SLC6A3
SCHEMBL19202654 0.74 BTK (0.59) BTKTNK2PRMT5
SCHEMBL19203189 0.70 BTK (0.52) BTKTNK2PRMT5
SCHEMBL19203213 0.69 BTK (0.54) BTKTNK2
SCHEMBL19202349 0.67 BTK (0.65) BTK
SCHEMBL23834572 0.67 PLAUR (0.43) TNK2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL19202576 0.67 BTK (0.64) 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 BTK 1/4885TNK2 328/4885SLC6A2 4788/4885
US-20190016721-A1 FUSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND USE THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BTK, SYK, JAK1 BTK 1/4885TNK2 328/4885SLC6A2 4788/4885

“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.