SCHEMBL18924248

SCHEMBL18924248

Cc1ccc(OCCN)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
L3MBTL1 Q9Y468 7/20 0.59
RAB9A P51151 4/20 0.59
ATM Q13315 1/20 0.59
HPGD P15428 4/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
MEN1 O00255 2/20 0.56
MAPK1 P28482 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
ALOX12 P18054 1/20 0.56
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CSNK2A1 P68400 2/20 0.51

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
SCHEMBL171363 0.85 MAPT (0.59) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL12037777 0.83 MAPT (0.66) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL8287371 0.81 MAPT (0.59) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL25517569 0.81 L3MBTL1 (0.65) MAPTL3MBTL1RAB9AHPGDCYP2C9
SCHEMBL12967963 0.81 L3MBTL1 (0.69) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL12180473 0.81 L3MBTL1 (0.65) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL2005192 0.81 MAPT (0.59) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL7819533 0.81 SMN1; SMN2 (0.54) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL3453883 0.81 S1PR4 (0.54) MAPTRAB9AHPGDCYP2C19MAPK1
SCHEMBL25823520 0.81 TSHR (0.59) L3MBTL1HPGDCYP2C9ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2019-07-04 US disclosed
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-05-07 US disclosed
US-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-08-03 US disclosed
US-9670227-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-06-06 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-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 MAPT 2702/4885L3MBTL1 2449/4885RAB9A 2390/4885
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them TYMS, TYMP, TPX2 MAPT 2702/4885L3MBTL1 2449/4885RAB9A 2390/4885
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 MAPT 2702/4885L3MBTL1 2449/4885RAB9A 2390/4885

“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.