SCHEMBL27089982

SCHEMBL27089982

C[C@H](N)c1cccc(C(F)F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
PNMT P11086 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
PDE2A O00408 1/20 0.36
KRAS P01116 1/20 0.36
SOS1 Q07889 1/20 0.36
CFD P00746 1/20 0.34
SLC6A2 P23975 2/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GABRA1 P14867 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33

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
SCHEMBL23326566 1.00 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL30367066 1.00 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL30577965 1.00 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL29672766 1.00 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL21132678 1.00 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL23247765 0.98 LMNA (0.47) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL29180804 0.98 LMNA (0.47) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL23247764 0.98 LMNA (0.47) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL29755142 0.98 LMNA (0.47) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL29901777 0.98 LMNA (0.47) CYP1A2CYP3A4CYP2D6NFKB1PNMT

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-20240051956-A1 SOS1 INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2024-02-15 US disclosed
CN-117396472-A SOS1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2024-01-12 CN disclosed
CN-115806560-A Azatetracyclic compounds, pharmaceutical compositions and uses thereof 武汉誉祥医药科技有限公司 2023-03-17 CN 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-20240051956-A1 SOS1 INHIBITORS AND USES THEREOF SOS1, KRAS, NRAS CYP1A2 4181/4885CYP3A4 4502/4885CYP2D6 3171/4885

“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.