SCHEMBL23939426

SCHEMBL23939426

OC1[C@@H]2C[C@H]1CN(Cc1ccccc1)C2

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.68
GBA1 P04062 1/20 0.57
KDM1A O60341 1/20 0.54
ALDH1A1 P00352 1/20 0.51
GRIN2B Q13224 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR5 Q9H228 1/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL21561563 1.00 FUCA1 (0.68) FUCA1GBA1KDM1AALDH1A1GRIN2B
SCHEMBL22784440 0.89 FUCA1 (0.69) FUCA1GBA1ALDH1A1GRIN2BSIGMAR1
SCHEMBL22784542 0.89 FUCA1 (0.69) FUCA1GBA1ALDH1A1GRIN2BSIGMAR1
SCHEMBL288640 0.89 FUCA1 (0.69) FUCA1GBA1ALDH1A1GRIN2BSIGMAR1
SCHEMBL15996691 0.89 FUCA1 (0.69) FUCA1GBA1ALDH1A1GRIN2BSIGMAR1
SCHEMBL758420 0.89 FUCA1 (0.69) FUCA1GBA1ALDH1A1GRIN2BSIGMAR1
SCHEMBL12371118 0.89 FUCA1 (0.68) FUCA1GBA1ALDH1A1GRIN2BSIGMAR1
SCHEMBL1707725 0.89 FUCA1 (0.68) FUCA1GBA1ALDH1A1GRIN2BSIGMAR1
SCHEMBL1707693 0.89 FUCA1 (0.68) FUCA1GBA1ALDH1A1GRIN2BSIGMAR1
SCHEMBL1707691 0.89 FUCA1 (0.68) FUCA1GBA1ALDH1A1GRIN2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030897-B2 Pyrrolo[2,1-f][1,2,4]triazine derivatives serving as selective HER2 inhibitors and application thereof MEDSHINE DISCOVERY INC. (CN) 2024-07-09 US disclosed
US-12030897-B2 Pyrrolo[2,1-f][1,2,4]triazine derivatives serving as selective HER2 inhibitors and application thereof MEDSHINE DISCOVERY INC. (CN) 2024-07-09 US disclosed
US-20210323979-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVES SERVING AS SELECTIVE HER2 INHIBITORS AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2021-10-21 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 (2 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-12030897-B2 Pyrrolo[2,1-f][1,2,4]triazine derivatives serving as selective HER2 inhibitors and application thereof ERBB2, EGFR, ERBB3 FUCA1 1690/4885GBA1 2163/4885KDM1A 2018/4885
US-20210323979-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVES SERVING AS SELECTIVE HER2 INHIBITORS AND APPLICATION THEREOF ERBB2, EGFR, ERBB3 FUCA1 1690/4885GBA1 2163/4885KDM1A 2018/4885

“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.