SCHEMBL19909042

SCHEMBL19909042

C=CNc1ncccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
FDPS P14324 4/20 0.45
ALOX15 P16050 1/20 0.44
HTT P42858 2/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 1/20 0.42
NOS3 P29474 1/20 0.42

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
SCHEMBL9801015 0.80 MAPT (0.53) RAB9ANPC1KDM4EMAPTCYP1A2
SCHEMBL11915503 0.80 RAB9A (0.56) RAB9ANPC1KDM4EMAPTCYP1A2
SCHEMBL4857851 0.80 MAPT (0.53) RAB9ANPC1KDM4EMAPTCYP1A2
SCHEMBL27011894 0.78 RAB9A (0.36) RAB9ANPC1KDM4EMAPTCYP1A2
SCHEMBL15368480 0.76 NPC1 (0.61) RAB9ANPC1KDM4EMAPTCYP1A2
SCHEMBL10716557 0.74 MAPT (0.48) RAB9ANPC1KDM4EMAPTCYP1A2
SCHEMBL292777 0.74
SCHEMBL30671581 0.74
SCHEMBL18520064 0.73 NOS2 (0.48) RAB9ANPC1KDM4EMAPTL3MBTL1
SCHEMBL18525486 0.73 RAB9A (0.57) RAB9ANPC1KDM4EMAPTCYP1A2

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-20240018122-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-18 US disclosed
EP-3089966-B1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE ESTRYX PHARMA LTD (GB) 2020-10-21 EP disclosed
EP-3122451-B1 POROUS FILMS COMPRISING METAL-ORGANIC FRAMEWORK MATERIALS BASF SE (DE) 2018-02-28 EP 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-20240018122-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS ALK, TGFBR1, ACVR1 RAB9A 3753/4885NPC1 2593/4885KDM4E 474/4885

“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.