SCHEMBL19635978

SCHEMBL19635978

NNC1CCC2(CC2)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 1/20 0.42
HTR2C P28335 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRIN2B Q13224 2/20 0.39
HTT P42858 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
DPP4 P27487 2/20 0.39
DPP7 Q9UHL4 2/20 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
SCHEMBL19635976 0.83 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL19635977 0.82 PDE4B (0.43) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL15669761 0.78 SMN1; SMN2 (0.62) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL25498781 0.77 HTR2C (0.47) SMN1; SMN2CYP2C19NPC1RAB9ATSHR
SCHEMBL15669673 0.76 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL26602521 0.76 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL16075645 0.76 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL15670110 0.75 SMN1; SMN2 (0.55) SMN1; SMN2CYP2C19NPC1RAB9AMEN1
SCHEMBL15669499 0.75 HTR2C (0.50) SMN1; SMN2CYP2C19NPC1RAB9ATSHR
SCHEMBL696467 0.75 SMN1; SMN2 (0.69) SMN1; SMN2CYP2C19NPC1RAB9AMEN1

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
EP-3708165-B1 CRYSTAL FORM I OF A 5-AMINOPYRAZOLE CARBOXAMIDE COMPOUND AS BTK INHIBITOR SINOMAB BIOSCIENCE LTD (CN) 2023-01-18 EP disclosed
EP-3459940-B1 5-AMINOPYRAZOLE CARBOXAMIDE DERIVATIVE AS BTK INHIBITOR AND PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF SUZHOU SINOVENT PHARMACEUTICALS CO LTD (CN) 2022-07-20 EP disclosed
US-11180475-B2 Crystal form I of a 5-aminopyrazole carboxamide compound as BTK inhibitor SINOMAB BIOSCIENCE LIMITED (HK) 2021-11-23 US disclosed
US-10882843-B2 5-aminopyrazole carboxamide derivative as BTK inhibitor and preparation method and pharmaceutical composition thereof Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2021-01-05 US disclosed
US-20200361902-A1 CRYSTAL FORM I OF A 5-AMINOPYRAZOLE CARBOXAMIDE COMPOUND AS BTK INHIBITOR SUZHOU SINOVENT PHARMA CO., LTD. (CN) 2020-11-19 US disclosed
EP-3708165-A1 CRYSTAL FORM I OF A 5-AMINOPYRAZOLE CARBOXAMIDE COMPOUND AS BTK INHIBITOR Sinomab Bioscience Limited (CN) 2020-09-16 EP disclosed
US-20190152952-A1 5-AMINOPYRAZOLE CARBOXAMIDE DERIVATIVE AS BTK INHIBITOR AND PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF Evopoint Biosciences Co., Ltd. (CN) 2019-05-23 US disclosed
EP-3459940-A1 5-AMINOPYRAZOLE CARBOXAMIDE DERIVATIVE AS BTK INHIBITOR AND PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF Zhejiang Yukon Pharma Co., Ltd. (CN) 2019-03-27 EP disclosed
WO-2017198050-A1 5-AMINOPYRAZOLE CARBOXAMIDE DERIVATIVE AS BTK INHIBITOR AND PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF 浙江予川医药科技有限公司 2017-11-23 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 (4 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-10882843-B2 5-aminopyrazole carboxamide derivative as BTK inhibitor and preparation method and pharmaceutical composition thereof BTK, SYK, LCK SMN1; SMN2 4637/4885CYP2C19 235/4885NPC1 4331/4885
US-20200361902-A1 CRYSTAL FORM I OF A 5-AMINOPYRAZOLE CARBOXAMIDE COMPOUND AS BTK INHIBITOR BTK, SYK, LCK SMN1; SMN2 4806/4885CYP2C19 2017/4885NPC1 4532/4885
US-11180475-B2 Crystal form I of a 5-aminopyrazole carboxamide compound as BTK inhibitor BTK, SYK, LCK SMN1; SMN2 4806/4885CYP2C19 2017/4885NPC1 4532/4885
US-20190152952-A1 5-AMINOPYRAZOLE CARBOXAMIDE DERIVATIVE AS BTK INHIBITOR AND PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF BTK, SYK, LCK SMN1; SMN2 4637/4885CYP2C19 235/4885NPC1 4331/4885

“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.