SCHEMBL12181561

SCHEMBL12181561

O=C(NC1CC1)c1ccccc1Cl

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.75
RAB9A P51151 5/20 0.67
NPC1 O15118 4/20 0.67
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
HPGD P15428 5/20 0.61
TDP1 Q9NUW8 2/20 0.60
POLB P06746 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
ALDH1A1 P00352 3/20 0.56
HTT P42858 2/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL23573396 0.93 P2RX7 (0.67) P2RX7RAB9ANPC1KMT2AMEN1
SCHEMBL23573395 0.93 P2RX7 (0.67) P2RX7RAB9ANPC1KMT2AMEN1
SCHEMBL16043466 0.93 RAB9A (0.69) P2RX7RAB9ANPC1KMT2AMEN1
SCHEMBL8210765 0.91 RAB9A (0.72) P2RX7RAB9ANPC1KMT2AMEN1
SCHEMBL3455501 0.91 RAB9A (0.72) P2RX7RAB9ANPC1KMT2AMEN1
SCHEMBL19908510 0.89 CCNT1 (0.61) P2RX7RAB9ANPC1KMT2AMEN1
SCHEMBL4375674 0.86 KMT2A (0.66) P2RX7RAB9ANPC1KMT2AMEN1
SCHEMBL534385 0.86 P2RX7 (1.00) P2RX7RAB9ANPC1KMT2AMEN1
SCHEMBL3911456 0.85 POLB (0.66) P2RX7RAB9ANPC1KMT2AMEN1
SCHEMBL28583422 0.84 P2RX7 (0.97) P2RX7RAB9ANPC1KMT2AMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115710287-B Ring-opening boronation reaction method for cyclopropane compound under no metal catalysis 中国科学院兰州化学物理研究所 2024-01-09 CN disclosed
CN-116616308-A Application of aromatic formamido-cyclopropane compound in promoting rice growth and development 郑州郑氏化工产品有限公司 2023-08-22 CN disclosed
CN-115710287-A Ring-opening boronization reaction method of cyclopropane compound under condition of no metal catalysis 中国科学院兰州化学物理研究所 2023-02-24 CN disclosed
CN-108463109-B Pesticidally active pyrazole derivatives 先正达参股股份有限公司 2022-04-29 CN disclosed
US-9617258-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides PFIZER INC. (US) 2017-04-11 US disclosed
US-20150158864-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYR-ROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER INC. 2015-06-11 US disclosed
CN-102317263-B Halogen substituted compounds as pesticides BAYER IP GMBH 2015-04-22 CN disclosed
WO-2011145035-A1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INDIAN INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-11-24 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 (1 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-20150158864-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYR-ROLO[2,3-D]PYRIDINYL ACRYLAMIDES JAK2, JAK3, JAK1 P2RX7 372/4885RAB9A 2514/4885NPC1 4864/4885

“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.