SCHEMBL22623974

SCHEMBL22623974

CCCCC(C)(CCCC)c1cnccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KDM6B O15054 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
CYP2D6 P10635 3/20 0.31
CYP3A4 P08684 2/20 0.31
LATS1 O95835 1/20 0.31
LATS2 Q9NRM7 1/20 0.31
CYP19A1 P11511 3/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
PRKCH P24723 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 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
SCHEMBL22624047 0.81 LATS1 (0.34) TDP1L3MBTL1GAACNR1CNR2
SCHEMBL22140358 0.79 GAA (0.34) TDP1L3MBTL1GAACNR1CNR2
SCHEMBL22624145 0.76 ALDH1A1 (0.33) TDP1L3MBTL1CNR1CNR2LATS1
SCHEMBL19778993 0.75 CNR2 (0.39) TDP1L3MBTL1CNR1CNR2KDM6B
SCHEMBL22624030 0.74 LOXL2 (0.35) TDP1L3MBTL1CNR1CNR2KDM6B
SCHEMBL11955155 0.74 GAA (0.41) GAACYP3A4LATS1LATS2CYP19A1
SCHEMBL31358487 0.74 GAA (0.41) GAACYP3A4LATS1LATS2CYP19A1
SCHEMBL19440675 0.71 CYP3A4 (0.40) TDP1L3MBTL1CNR1CNR2CYP2D6
SCHEMBL22140136 0.70 GAA (0.36) GAALATS1LATS2CYP19A1PRKCH
SCHEMBL19916803 0.70 CNR2 (0.38) TDP1L3MBTL1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 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 (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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 TDP1 534/4885L3MBTL1 3874/4885GAA 4168/4885

“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.