SCHEMBL17040409

SCHEMBL17040409

CCc1nc2c(Cl)nccc2s1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPK14 Q16539 4/20 0.36
ALDH1A1 P00352 1/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
COMT P21964 1/20 0.33
RPS6KA5 O75582 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21673259 0.82 SMN1; SMN2 (0.35) NPC1RAB9AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL18313181 0.81 NPC1 (0.44) NPC1RAB9AGAAMAPK1MAPK14
SCHEMBL3193823 0.77 NPC1 (0.45) NPC1RAB9AGAAMAPK1ALDH1A1
SCHEMBL6630437 0.74 LMNA (0.56) NPC1RAB9AGAAMAPK1ALDH1A1
SCHEMBL30537878 0.73 LMNA (0.55) RAB9AGAAALDH1A1SMN1; SMN2
SCHEMBL5528501 0.73 ALDH1A1 (0.33) MAPK1ALDH1A1
SCHEMBL17031856 0.72 CASR (0.31) ALDH1A1
SCHEMBL18899026 0.72 ACACB (0.37) MAPK1ALDH1A1TLR8TLR7
SCHEMBL28564164 0.71 PTGS1 (0.39) NPC1RAB9AGAAALDH1A1SMN1; SMN2
SCHEMBL16593550 0.70 SELE (0.47) NPC1RAB9AGAAMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108373476-B Kinase inhibitor and preparation and application thereof 成都地奥制药集团有限公司 2021-06-01 CN disclosed
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-09-14 US disclosed
US-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US 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 (3 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-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI NPC1 829/4885RAB9A 2345/4885GAA 3630/4885
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C1QBP NPC1 3614/4885RAB9A 2872/4885GAA 4206/4885
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 NPC1 2999/4885RAB9A 3082/4885GAA 4022/4885

“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.