SCHEMBL891383

SCHEMBL891383

Nc1cc(-c2ccccc2)nn1CCO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.64
ALDH1A1 P00352 6/20 0.59
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
MAPT P10636 6/20 0.57
LMNA P02545 3/20 0.57
STAT3 P40763 2/20 0.57
GAA P10253 2/20 0.52
GALR3 O60755 1/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
HTT P42858 2/20 0.50
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
NFKB1 P19838 2/20 0.42

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
SCHEMBL29794328 0.84 MAPT (0.61) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL9877851 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL21986617 0.81 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4889199 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA
SCHEMBL2160007 0.80 KLK3 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL17619650 0.80 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL13974492 0.79 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL5311128 0.79 NPC1 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL27139096 0.79 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3299499 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HTTPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP claimed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US claimed
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2021-01-12 US disclosed
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2019-09-05 US disclosed
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2019-07-16 US disclosed
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-06-18 US disclosed
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP disclosed
US-9981959-B2 Thiazolyl and oxazolyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-29 US disclosed
US-9981959-B2 Thiazolyl and oxazolyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-29 US disclosed
US-9969694-B2 N-(arylalkyl)-N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-15 US disclosed
US-9969694-B2 N-(arylalkyl)-N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-15 US disclosed
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-10-16 US disclosed
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-10-16 US disclosed
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-10-16 US disclosed
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2007-10-04 US disclosed
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2007-10-04 US disclosed
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2007-10-04 US disclosed
WO-2007095340-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2007-08-23 WO disclosed
WO-2007095340-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2007-08-23 WO disclosed
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 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 (6 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-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 SMN1; SMN2 2313/4885ALDH1A1 3388/4885MEN1 3638/4885
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity TRPC4, TRPC3, TRPC1 SMN1; SMN2 4023/4885ALDH1A1 4789/4885MEN1 2510/4885
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors RET, TK1, DSTYK SMN1; SMN2 1881/4885ALDH1A1 3125/4885MEN1 4628/4885
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 SMN1; SMN2 4023/4885ALDH1A1 4789/4885MEN1 2510/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 SMN1; SMN2 2313/4885ALDH1A1 3388/4885MEN1 3638/4885
US-10351575-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 SMN1; SMN2 2313/4885ALDH1A1 3388/4885MEN1 3638/4885

“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.