SCHEMBL21484498

SCHEMBL21484498

Cc1cc(=O)n(C(C)C)cc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 4/20 0.34
BMPR1A P36894 4/20 0.34
ACVRL1 P37023 4/20 0.34
ACVR1 Q04771 4/20 0.34
TGFBR1 P36897 3/20 0.34
BRD4 O60885 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
DAO P14920 1/20 0.32
KRAS P01116 1/20 0.32
SOS1 Q07889 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
P2RX7 Q99572 2/20 0.30
ALDH1A1 P00352 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL16640167 0.81 BMPR1B (0.34) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL25807021 0.80 KDM4E (0.31)
SCHEMBL24759404 0.76 ALDH1A1 (0.33) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL21459701 0.76 BCL2 (0.36) SMN1; SMN2PTGS2
SCHEMBL25605963 0.73 BMPR1B (0.31) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL12172358 0.72 MAP2K2 (0.39) BRD4DAO
SCHEMBL21459327 0.71 MAP2K2 (0.35) ALDH1A1
SCHEMBL15468852 0.71 ADORA2A (0.33) BRD4ADORA2AADORA1
SCHEMBL25807020 0.69 ADRA2A (0.43) ACVRL1ACVR1SMN1; SMN2ALDH1A1
SCHEMBL21475958 0.69 CHEK1 (0.37) ACVR1BRD4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 US disclosed
US-10759756-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2020-09-01 US disclosed
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2019-10-17 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 (4 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-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 BMPR1B 1808/4885BMPR1A 1773/4885ACVRL1 2433/4885
US-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 BMPR1B 1651/4885BMPR1A 1825/4885ACVRL1 1954/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 BMPR1B 1808/4885BMPR1A 1773/4885ACVRL1 2433/4885
US-10759756-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 BMPR1B 1979/4885BMPR1A 2432/4885ACVRL1 2496/4885

“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.