SCHEMBL19806682

SCHEMBL19806682

CC(=O)Nc1[nH]nc(-c2ccc(F)cc2)c1I

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.58
▸ MAPK14 Q16539 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ AHR P35869 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ MAPK1 P28482 3/20 0.41
▸ AXL P30530 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ MAP2K4 P45985 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ GSK3B P49841 2/20 0.39

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
SCHEMBL18301578 0.85 GSK3A (0.51) RAB9AKDM4EALDH1A1NPC1NR1I2
SCHEMBL19806684 0.84 RAB9A (0.59) RAB9AMAPK14KDM4EALDH1A1HPGD
SCHEMBL15655811 0.84 ADORA3 (0.47) RAB9AHPGDNPC1SMN1; SMN2ADORA3
SCHEMBL5268390 0.72 SMN1; SMN2 (0.51) KDM4EALDH1A1HPGDNR1I2SMN1; SMN2
SCHEMBL15657931 0.70 LMNA (0.38) RAB9AKDM4ENPC1NR1I2AHR
SCHEMBL2523390 0.69 MAPK14 (0.40) MAPK14ALDH1A1SMN1; SMN2MAPK1MAP2K4
SCHEMBL4348258 0.69 MEN1 (0.47) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL19805499 0.69 KDM4E (0.49) RAB9AMAPK14KDM4EALDH1A1HPGD
SCHEMBL2820812 0.69 MAPK14 (0.50) RAB9AMAPK14KDM4EALDH1A1HPGD
SCHEMBL21380727 0.68 TGFBR1 (0.55) TGFBR1

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-20190292179-A1 TGF Beta RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-09-26 — — US disclosed
US-20190292179-A1 TGF Beta RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-09-26 — — US disclosed
WO-2018017633-A1 TGF Beta RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-25 — — WO 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-20190292179-A1 TGF Beta RECEPTOR ANTAGONISTS TGFBR1, TGFBR2, TGFB1 RAB9A 3851/4885MAPK14 2427/4885KDM4E 2538/4885

“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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