SCHEMBL19202667

SCHEMBL19202667

c1ccc(Oc2ccc(-c3nc(C4CCNCC4)cc4cn[nH]c34)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.47
TNK2 Q07912 2/20 0.41
PRMT5 O14744 5/20 0.38
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SCN9A Q15858 1/20 0.35
MAPK14 Q16539 3/20 0.34
SCN7A Q01118 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL19202351 0.82 BTK (0.57) BTK
SCHEMBL19203183 0.82 BTK (0.56) BTKTNK2PRMT5HTR1ASLC6A2
SCHEMBL19202666 0.81 BTK (0.54) BTKTNK2PRMT5MEN1KMT2A
SCHEMBL19203189 0.79 BTK (0.52) BTKTNK2PRMT5KCNH2MEN1
SCHEMBL19202654 0.76 BTK (0.59) BTKTNK2PRMT5
SCHEMBL19202372 0.74 BTK (0.46) BTKTNK2PRMT5HTR1ASLC6A2
SCHEMBL19202374 0.72 BTK (0.68) BTKMEN1KMT2A
SCHEMBL19203213 0.71 BTK (0.54) BTKTNK2
Hydrochloric Acid SCHEMBL31615791 0.71 HTR1A (0.50) TNK2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL19202349 0.69 BTK (0.65) 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 328/4885PRMT5 645/4885
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 328/4885PRMT5 645/4885

“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.