SCHEMBL1735616

SCHEMBL1735616

CNc1cccc2cnccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.55
ROCK1 Q13464 2/20 0.55
ALDH1A1 P00352 13/20 0.55
MAPT P10636 10/20 0.55
LMNA P02545 6/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
KMT2A Q03164 5/20 0.55
KDM4E B2RXH2 9/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPKAPK2 P49137 1/20 0.53
MEN1 O00255 2/20 0.52
CCR4 P51679 1/20 0.51
NSD2 O96028 1/20 0.51
HTT P42858 2/20 0.50
PRKD3 O94806 1/20 0.50
PRKCG P05129 1/20 0.50

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
SCHEMBL21783687 0.85 TNF (0.49) ROCK2ROCK1ALDH1A1MAPTLMNA
SCHEMBL29826581 0.81 KEAP1 (0.65) ROCK2ROCK1ALDH1A1MAPTLMNA
SCHEMBL2912624 0.81 KEAP1 (0.65) ROCK2ROCK1ALDH1A1MAPTLMNA
SCHEMBL2477664 0.81 LMNA (0.58) ROCK2ROCK1ALDH1A1MAPTLMNA
SCHEMBL31629163 0.81 LMNA (0.58) ROCK2ROCK1ALDH1A1MAPTLMNA
SCHEMBL23299515 0.80 ALDH1A1 (0.51) ROCK2ROCK1ALDH1A1MAPTLMNA
SCHEMBL11142216 0.80 ALDH1A1 (0.53) ROCK2ROCK1ALDH1A1MAPTLMNA
SCHEMBL2622218 0.80 CCR4 (0.55) ROCK2ROCK1ALDH1A1MAPTLMNA
SCHEMBL11143217 0.80 LMNA (0.62) ROCK2ROCK1ALDH1A1MAPTLMNA
SCHEMBL7355127 0.80 CCR4 (0.48) ROCK2ROCK1ALDH1A1MAPTLMNA

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-118878514-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2024-11-01 CN disclosed
WO-2024119122-A1 CDK INHIBITORS AND METHODS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-06-06 WO disclosed
WO-2023278981-A1 SYNTHESIS OF A BIS-MESYLATE SALT OF 4-AMINO-N-(1 -((3-CHLORO-2- FLUOROPHENYL)AMINO)-6-METHYLISOQUINOLIN-5-YL)THIENO[3,2- D]PYRIMIDINE-7-CARBOXAMIDE AND INTERMEDIATES THERETO GENENTECH, INC. (US) 2023-01-05 WO disclosed
CN-115427394-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2022-12-02 CN disclosed
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
WO-2021226519-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
WO-2021226458-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
WO-2021226477-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
US-6984647-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-10 US disclosed
US-20050187291-A1 use of 2-(urea or thiourea)tetralins as analgesic or to treat pulmonary dysfunction JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-25 US disclosed
EP-1506166-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2003-12-25 US disclosed
WO-2003097586-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed
US-5254679-A Containing a quaternized nitrogen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
US-5049558-A Quaternized nitrogen-heterocycle substituted IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-17 US disclosed
EP-0164944-B1 CEPHALOSPORIN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-07-11 EP disclosed
EP-0164944-A1 Cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-18 EP 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-20050187291-A1 use of 2-(urea or thiourea)tetralins as analgesic or to treat pulmonary dysfunction TMEM109, UTS2R, GPR17 ROCK2 4644/4885ROCK1 4232/4885ALDH1A1 1133/4885
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 ROCK2 2207/4885ROCK1 3857/4885ALDH1A1 2328/4885
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor UTS2R, TRPV6, TRPV1 ROCK2 4858/4885ROCK1 4600/4885ALDH1A1 1371/4885

“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.