SCHEMBL4230101

SCHEMBL4230101

C[C@@H](N)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.46
PDE2A O00408 7/20 0.43
KDM1A O60341 1/20 0.42
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL701610 1.00 KIF11 (0.46) KIF11PDE2AKDM1AAKR1C3AKR1C2
SCHEMBL21711983 1.00 KIF11 (0.46) KIF11PDE2AKDM1AAKR1C3AKR1C2
Hydrochloric Acid SCHEMBL28665216 0.98 KIF11 (0.44) KIF11PDE2AKDM1AAKR1C3AKR1C2
Hydrochloric Acid SCHEMBL14121846 0.98 KIF11 (0.44) KIF11PDE2AKDM1AAKR1C3AKR1C2
Hydrochloric Acid SCHEMBL14121536 0.98 KIF11 (0.44) KIF11PDE2AKDM1AAKR1C3AKR1C2
Hydrochloric Acid SCHEMBL28665215 0.98 KIF11 (0.44) KIF11PDE2AKDM1AAKR1C3AKR1C2
SCHEMBL16649741 0.85 KIF11 (0.43) KIF11PDE2AKDM1AAKR1C3AKR1C2
SCHEMBL296445 0.85 PDE2A (0.43) PDE2AAKR1C3AKR1C2
SCHEMBL5019023 0.85 PDE2A (0.43) PDE2AAKR1C3AKR1C2
SCHEMBL2399327 0.85 PDE2A (0.43) PDE2AAKR1C3AKR1C2

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
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
CN-103635472-B Serine/threonine kinase inhibitor 阵列生物制药公司 2018-01-12 CN disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 KIF11 1856/4885PDE2A 334/4885KDM1A 3188/4885

“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.