SCHEMBL19202659

SCHEMBL19202659

c1ccc(Oc2ccc(-c3nc(N4CCNCC4)cc4cn[nH]c34)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.47
LTA4H P09960 1/20 0.47
SCN4A P35499 1/20 0.44
SCN9A Q15858 1/20 0.44
NTRK1 P04629 1/20 0.41
HTR1A P08908 4/20 0.41
HTR7 P34969 3/20 0.41
HTR2B P41595 3/20 0.41
HTR6 P50406 3/20 0.41
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 4/20 0.41
PKN2 Q16513 2/20 0.41
PKN1 Q16512 1/20 0.41
PRMT5 O14744 2/20 0.40
HTR1B P28222 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 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
SCHEMBL19202341 0.82 BTK (0.62) BTK
SCHEMBL24083372 0.80 BTK (0.52) BTK
SCHEMBL19202556 0.76 BTK (0.46) BTKLTA4HSCN4APRMT5TNK2
SCHEMBL19202353 0.74 BTK (0.59) BTK
SCHEMBL19203183 0.74 BTK (0.56) BTKHTR1APRMT5SLC6A2SLC6A3
SCHEMBL16613211 0.73 BTK (0.59) BTKLTA4HSCN4ASCN9AHTR1A
SCHEMBL19202654 0.72 BTK (0.59) BTKPRMT5TNK2CHEK1
Hydrochloric Acid SCHEMBL16597781 0.72 BTK (0.58) BTKLTA4HSCN4ASCN9AHTR1A
SCHEMBL19203213 0.72 BTK (0.54) BTKLTA4HSCN4ATNK2
SCHEMBL16597779 0.71 BTK (0.71) BTKLTA4HSCN9ACHEK1

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 1/4885LTA4H 2366/4885SCN4A 3643/4885
US-20190016721-A1 FUSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND USE THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BTK, SYK, JAK1 BTK 1/4885LTA4H 2366/4885SCN4A 3643/4885

“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.