SCHEMBL3923917

SCHEMBL3923917

c1ccc([C@H]2CCNC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HTR3A P46098 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
HPGDS O60760 1/20 0.41

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
SCHEMBL3921393 1.00 SLC18A3 (0.42) SLC18A3SIGMAR1HTR1ASLC6A2SLC6A4
SCHEMBL29889405 1.00 SLC18A3 (0.42) SLC18A3SIGMAR1HTR1ASLC6A2SLC6A4
SCHEMBL14868820 1.00 SLC18A3 (0.42) SLC18A3SIGMAR1HTR1ASLC6A2SLC6A4
SCHEMBL166955 1.00 SLC18A3 (0.42) SLC18A3SIGMAR1HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3972091 0.98 SLC18A3 (0.41) SLC18A3SIGMAR1HTR1ASLC6A2SLC6A4
Pyridine SCHEMBL28612805 0.93 HTR1A (0.44) SLC18A3SIGMAR1HTR1ASLC6A2SLC6A4
SCHEMBL11492677 0.89 CHEK1 (0.46) HPGDS
SCHEMBL171370 0.89 CHEK1 (0.46) HPGDS
Acetic Acid SCHEMBL28811724 0.89 JAK3 (0.45)
SCHEMBL169353 0.89 SLC18A3 (0.50) SLC18A3SIGMAR1HTR1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3315492-A1 PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2018-05-02 EP disclosed
EP-2051980-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 (1 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-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 SLC18A3 3474/4885SIGMAR1 2843/4885HTR1A 2074/4885

“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.