SCHEMBL1047222

SCHEMBL1047222

COc1cnc2[nH]cc(Br)c2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
AXL P30530 1/20 0.43
KIT P10721 6/20 0.41
DYRK1A Q13627 2/20 0.41
CSF1R P07333 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
NTRK1 P04629 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL30548012 1.00 MTNR1A (0.50) MTNR1AMTNR1BAXLKITDYRK1A
SCHEMBL13505056 0.81 MTNR1A (0.51) MTNR1AMTNR1BKITDYRK1ACSF1R
SCHEMBL30287159 0.79 MTNR1A (0.50) MTNR1AMTNR1BKITDYRK1ACSF1R
SCHEMBL1886563 0.79 MTNR1A (0.50) MTNR1AMTNR1BKITDYRK1ACSF1R
SCHEMBL23625712 0.79 GSK3B (0.51) MTNR1AMTNR1BKITDYRK1ACSF1R
SCHEMBL25190048 0.79 MTNR1A (0.50) MTNR1AMTNR1BKITDYRK1ACSF1R
SCHEMBL29923791 0.79 MTNR1A (0.50) MTNR1AMTNR1BKITDYRK1ACSF1R
SCHEMBL24032672 0.77 MTNR1A (0.48) MTNR1AMTNR1BKITDYRK1ACSF1R
SCHEMBL91446 0.77 AXL (0.47) AXLKITDYRK1ACDK2
SCHEMBL1713918 0.76 ALDH1A1 (0.55) MTNR1AMTNR1BKITDYRK1ACSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
EP-4447954-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS Icahn School of Medicine at Mount Sinai (US) 2024-10-23 EP disclosed
WO-2023114472-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-06-22 WO disclosed
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 US disclosed
EP-2454257-B1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2013-08-21 EP disclosed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 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-10961238-B2 Modulators of hedgehog (Hh) signaling pathway SHH, GLI1, SMO MTNR1A 411/4885MTNR1B 356/4885AXL 2513/4885
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 MTNR1A 4388/4885MTNR1B 4368/4885AXL 1742/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 MTNR1A 3497/4885MTNR1B 3294/4885AXL 3225/4885

“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.