SCHEMBL30998660

SCHEMBL30998660

COc1ccc(Cc2c(N)ncc(CC(F)(F)F)c2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP2D6 P10635 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CSF1R P07333 2/20 0.38
NTRK2 Q16620 2/20 0.38
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
DHFR P00374 4/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL29937376 0.88 ALDH1A1 (0.56) ALDH1A1CYP2D6ATMNPSR1POLB
SCHEMBL28515732 0.82 ALDH1A1 (0.50) ALDH1A1CYP2D6ATMNPSR1POLB
SCHEMBL29937273 0.78 ALDH1A1 (0.55) ALDH1A1CYP2D6ATMNPSR1POLB
SCHEMBL28996034 0.77 ALDH1A1 (0.56) ALDH1A1CYP2D6ATMNPSR1POLB
SCHEMBL29687392 0.77 ALDH1A1 (0.56) ALDH1A1CYP2D6ATMNPSR1POLB
SCHEMBL29975689 0.76 ALDH1A1 (0.52) ALDH1A1CYP2D6ATMNPSR1POLB
SCHEMBL29433996 0.73 ALDH1A1 (0.58) ALDH1A1CYP2D6ATMNPSR1POLB
SCHEMBL28729752 0.73 ALDH1A1 (0.58) ALDH1A1CYP2D6ATMNPSR1POLB
SCHEMBL29936900 0.71 ALDH1A1 (0.56) ALDH1A1CYP2D6ATMNPSR1POLB
Hydrochloric Acid SCHEMBL7522555 0.70 ALDH1A1 (0.68) ALDH1A1CYP2D6ATMNPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS ALDH1A1 2871/4885CYP2D6 2875/4885ATM 701/4885

“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.