SCHEMBL26310703

SCHEMBL26310703

Fc1ccc2cccc(Nc3ccc(-c4nc5cc(Nc6ccncc6)ccc5[nH]4)cc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 13/20 0.50
▸ MET P08581 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LRRK2 Q5S007 2/20 0.38
▸ PKN1 Q16512 1/20 0.38
▸ PKN2 Q16513 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38

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
SCHEMBL30210280 0.86 KDR (0.63) KDRMETALDH1A1KDM4ECYP1A2
SCHEMBL30180360 0.86 KDR (0.63) KDRMETALDH1A1KDM4ECYP1A2
SCHEMBL23999511 0.86 KDR (0.63) KDRMETALDH1A1KDM4ECYP1A2
SCHEMBL23999699 0.86 KDR (0.63) KDRMETALDH1A1KDM4ECYP1A2
SCHEMBL18616895 0.81 ALDH1A1 (0.51) KDRALDH1A1KDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL18586196 0.80 ALDH1A1 (0.50) KDRALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL25826862 0.80 KDR (0.68) KDRMET
SCHEMBL25452647 0.80 ADRA2A (0.50) ALDH1A1KDM4ECYP1A2CYP3A4HPGD
SCHEMBL23999470 0.79 KDR (0.73) KDRMETALDH1A1KDM4EHPGD
SCHEMBL24006212 0.79 KDR (0.73) KDRMETALDH1A1KDM4EHPGD

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 — — 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR KDR 3433/4885MET 1498/4885ALDH1A1 4544/4885

“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.

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