SCHEMBL19662802

SCHEMBL19662802

Cc1cccc(C(=O)Nc2ccc(C#N)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.68
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
KCNK3 O14649 5/20 0.65
KCNK9 Q9NPC2 5/20 0.65
KCNH2 Q12809 1/20 0.65
P2RY2 P41231 1/20 0.64
GPR17 Q13304 1/20 0.64
NT5E P21589 1/20 0.62
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
RXFP1 Q9HBX9 1/20 0.60
FFAR1 O14842 1/20 0.60
GLA P06280 1/20 0.60
POLB P06746 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
GRM5 P41594 1/20 0.58
SIRT2 Q8IXJ6 2/20 0.56

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
SCHEMBL4252916 0.87 KCNK3 (0.72) TP53NPC1RAB9AKCNK3KCNK9
SCHEMBL14825225 0.86 SCN10A (0.60) NPC1RAB9AKCNH2MEN1KMT2A
SCHEMBL9587298 0.86 MEN1 (0.65) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL259705 0.85 MEN1 (0.65) TP53NPC1RAB9AKCNK3KCNK9
SCHEMBL27383419 0.85 NPC1 (0.63) TP53NPC1RAB9AP2RY2GPR17
SCHEMBL4257440 0.84 NPC1 (0.81) TP53NPC1RAB9AKCNK3KCNK9
SCHEMBL30048093 0.84 NPC1 (0.81) TP53NPC1RAB9AKCNK3KCNK9
SCHEMBL12700258 0.84 MEN1 (0.69) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL9057146 0.82 NPC1 (0.65) TP53NPC1RAB9AKCNK3KCNK9
SCHEMBL5380687 0.81 TP53 (1.00) TP53NPC1RAB9AKCNK3KCNK9

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-11247989-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2022-02-15 US disclosed
EP-3464286-B1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2021-08-18 EP disclosed
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 US disclosed
WO-2017205538-A1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2017-11-30 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 (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-11247989-B2 Therapeutic compounds and uses thereof EP300, HDAC1, CREBBP TP53 2251/4885NPC1 387/4885RAB9A 3405/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP TP53 2251/4885NPC1 387/4885RAB9A 3405/4885

“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.