SCHEMBL22276732

SCHEMBL22276732

Cc1cc(N2CCCC2)n2ncc(-c3ccc(Cl)cc3)c2n1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.98
NPC1 O15118 12/20 0.98
KDM4E B2RXH2 11/20 0.98
MAPT P10636 10/20 0.98
ALDH1A1 P00352 10/20 0.98
HPGD P15428 8/20 0.98
HSD17B10 Q99714 7/20 0.98
HTT P42858 5/20 0.98
L3MBTL1 Q9Y468 4/20 0.98
MAPK1 P28482 4/20 0.76
LMNA P02545 4/20 0.76
TP53 P04637 3/20 0.76
CASP1 P29466 2/20 0.76
CASP7 P55210 2/20 0.76
TDP1 Q9NUW8 2/20 0.76
CASP3 P42574 1/20 0.76
SENP8 Q96LD8 1/20 0.76
SENP7 Q9BQF6 1/20 0.76
SENP6 Q9GZR1 1/20 0.76
KMT2A Q03164 6/20 0.63

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
SCHEMBL11962837 0.78 HSD17B10 (0.64) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL22276733 0.78 HSD17B10 (0.62) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL7061181 0.74 NPC1 (0.64) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL7066787 0.73 NPC1 (0.63) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL11951619 0.72 HSD17B10 (0.57) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL11895019 0.71 KDM4E (0.62) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL16934910 0.68 KMT2A (0.85) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL11931415 0.68 RAB9A (0.76) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL3706419 0.68 MAPT (0.71) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL903271 0.67 PIM1 (0.56) RAB9ANPC1KDM4EMAPTALDH1A1

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-20200239479-A1 Pyrazolopyrimidine Modulators of RAS GTPase TOSK, INC. 2020-07-30 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-20200239479-A1 Pyrazolopyrimidine Modulators of RAS GTPase KRAS, NRAS, HRAS RAB9A 66/4885NPC1 3490/4885KDM4E 3433/4885

“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.