SCHEMBL11977010

SCHEMBL11977010

CC(C)c1cccc(OCCN2CCN(C)CC2)c1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ HTR1A P08908 1/20 0.57
▸ HTR7 P34969 1/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ DRD3 P35462 1/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.55
▸ KDM4E B2RXH2 6/20 0.52
▸ TSHR P16473 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ LTA4H P09960 2/20 0.51
▸ CYP2D6 P10635 1/20 0.49
▸ BACE1 P56817 1/20 0.48
▸ GAA P10253 1/20 0.47

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
SCHEMBL12015747 0.93 HRH3 (0.64) KMT2AMEN1HTR1AHTR7DRD3
SCHEMBL11977008 0.90 KDM4E (0.63) KMT2AMEN1HTR1AHTR7SMN1; SMN2
SCHEMBL4547947 0.89 KDM4E (0.62) KMT2AMEN1HTR1AHTR7SMN1; SMN2
SCHEMBL10223315 0.86 MEN1 (0.62) KMT2AMEN1HTR1AHTR7SMN1; SMN2
SCHEMBL12015820 0.86 KDM4E (0.57) KMT2AMEN1HTR1AHTR7SMN1; SMN2
SCHEMBL12015814 0.82 MEN1 (0.68) KMT2AMEN1SMN1; SMN2HTTDRD3
SCHEMBL12810770 0.81 KMT2A (0.69) KMT2AMEN1HTR1AHTR7SMN1; SMN2
SCHEMBL30831633 0.80 KMT2A (0.60) KMT2AMEN1SMN1; SMN2HTTLMNA
SCHEMBL12015748 0.80 ALDH1A1 (0.64) KMT2AMEN1SMN1; SMN2HTTLMNA
SCHEMBL3206091 0.79 KMT2A (0.68) KMT2AMEN1SMN1; SMN2HTTLMNA

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 13 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-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 — — US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 — — US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 — — 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
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 — — 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KMT2A 2017/4885MEN1 1802/4885HTR1A 754/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP KMT2A 2222/4885MEN1 3138/4885HTR1A 4476/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP KMT2A 2222/4885MEN1 3138/4885HTR1A 4476/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KMT2A 2017/4885MEN1 1802/4885HTR1A 754/4885
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 KMT2A 2416/4885MEN1 763/4885HTR1A 1014/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KMT2A 2017/4885MEN1 1802/4885HTR1A 754/4885

“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.

Send feedback