SCHEMBL21992769

SCHEMBL21992769

O=c1nc2n(c3ccccc13)CC/C2=C\c1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMARCA4 P51532 7/20 0.64
▸ PBRM1 Q86U86 5/20 0.64
▸ MAPT P10636 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ IKBKB O14920 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ RAF1 P04049 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ AKT1 P31749 1/20 0.45
▸ AKT2 P31751 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ PRKAG1 P54619 1/20 0.45
▸ MAP2K1 Q02750 1/20 0.45

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
SCHEMBL21993751 0.82 SMARCA4 (0.60) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL21993209 0.78 SMARCA4 (0.58) SMARCA4PBRM1MAPTNPC1CYP1A2
SCHEMBL22794557 0.78 SMARCA4 (1.00) SMARCA4PBRM1MAPTNPC1CYP1A2
SCHEMBL21993276 0.78 SMARCA4 (0.64) SMARCA4PBRM1MAPTNPC1CYP1A2
SCHEMBL21992773 0.78 SMARCA4 (0.57) SMARCA4PBRM1MAPTNPC1CYP1A2
SCHEMBL22794560 0.77 SMARCA4 (1.00) SMARCA4PBRM1MAPTNPC1CYP1A2
SCHEMBL22794541 0.76 SMARCA4 (1.00) SMARCA4PBRM1MAPTNPC1CYP1A2
SCHEMBL21993284 0.75 SMARCA4 (0.61) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL21992956 0.75 MEN1 (0.61) SMARCA4PBRM1MAPTNPC1RAB9A
SCHEMBL11085066 0.75 RAB9A (0.54) MAPTNPC1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof GALECTIN SCIENCES, LLC (US) 2023-02-21 — — US disclosed
US-20200147088-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof GALECTIN SCIENCES, LLC 2020-05-14 — — 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-20200147088-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof LGALS1, LGALS2, LGALS3 SMARCA4 4569/4885PBRM1 4399/4885MAPT 1108/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 SMARCA4 4569/4885PBRM1 4399/4885MAPT 1108/4885

“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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