SCHEMBL12015747

SCHEMBL12015747

CC(C)c1cccc(OCCCN2CCN(C)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.64
▸ DRD3 P35462 1/20 0.64
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ KDM4E B2RXH2 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ TSHR P16473 2/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ SLC6A4 P31645 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ XDH P47989 1/20 0.48

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
SCHEMBL11977010 0.93 KMT2A (0.64) HRH3DRD3MEN1KMT2AKDM4E
SCHEMBL12015748 0.86 ALDH1A1 (0.64) HRH3MEN1KMT2AKDM4ENPC1
SCHEMBL15701623 0.84 HRH3 (0.73) HRH3DRD3MEN1KMT2ANPC1
SCHEMBL11977008 0.83 KDM4E (0.63) MEN1KMT2AKDM4EL3MBTL1TSHR
SCHEMBL4547947 0.82 KDM4E (0.62) MEN1KMT2AKDM4EL3MBTL1TSHR
SCHEMBL11983510 0.81 KDM4E (0.78) HRH3DRD3MEN1KMT2AKDM4E
SCHEMBL7945821 0.80 HRH3 (0.63) HRH3DRD3MEN1KMT2AKDM4E
SCHEMBL17197054 0.80 HRH3 (0.63) HRH3DRD3MEN1KMT2AKDM4E
SCHEMBL12005680 0.80 HRH3 (0.63) HRH3DRD3MEN1KMT2AKDM4E
SCHEMBL21620968 0.80 MEN1 (0.63) HRH3MEN1KMT2AKDM4EHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4157844-B1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-07-10 — — EP disclosed
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITÉ DE TOURS (FR) 2023-10-05 — — US disclosed
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITÉ DE TOURS (FR) 2023-10-05 — — US disclosed
WO-2021239727-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-12-02 — — WO disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 — — US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 — — US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 — — US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 — — US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 — — US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 — — 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 (4 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS HRH3 489/4885DRD3 1062/4885MEN1 1802/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS HRH3 489/4885DRD3 1062/4885MEN1 1802/4885
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER LIMK1, LIMK2, ROCK1 HRH3 2953/4885DRD3 2626/4885MEN1 763/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS HRH3 489/4885DRD3 1062/4885MEN1 1802/4885

“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.

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