SCHEMBL20009337

SCHEMBL20009337

CC(C)c1cnc2ccc(Cl)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.38
HTR3A P46098 1/20 0.38
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL30315766 0.86 ADRB2 (0.46) HRH4HTR3AFGFR3KDRALDH1A1
SCHEMBL30889392 0.86 ADRB2 (0.46) HRH4HTR3AFGFR3KDRALDH1A1
SCHEMBL28161657 0.86 ADRB2 (0.46) HRH4HTR3AFGFR3KDRALDH1A1
SCHEMBL28161658 0.86 ADRB2 (0.46) HRH4HTR3AFGFR3KDRALDH1A1
SCHEMBL28162160 0.86 ADRB2 (0.46) HRH4HTR3AFGFR3KDRALDH1A1
SCHEMBL19514095 0.86 NPC1 (0.40) ALDH1A1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL29904777 0.86 PDGFRB (0.50) HRH4FGFR3KDRCYP2A6ALDH1A1
SCHEMBL40697 0.86 PDGFRB (0.50) HRH4FGFR3KDRCYP2A6ALDH1A1
SCHEMBL10199417 0.85 NPC1 (0.44) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL10262511 0.80 ALDH1A1 (0.47) CYP2A6ALDH1A1PDGFRBPDGFRAMEN1

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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-09 US disclosed
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2020-07-30 US disclosed
US-20180086719-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 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-20180086719-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PI4KA HRH4 1727/4885HTR3A 994/4885FGFR3 569/4885
US-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof KLKB1, KLK1, KLK5 HRH4 810/4885HTR3A 1915/4885FGFR3 4374/4885
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 HRH4 810/4885HTR3A 1915/4885FGFR3 4374/4885

“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.