SCHEMBL3755550

SCHEMBL3755550

Cc1cccc(-c2ncc3cn[nH]c3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
METAP2 P50579 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
NOTUM Q6P988 1/20 0.41
TGFBR1 P36897 1/20 0.40
CSF1R P07333 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3757242 0.81 METAP2 (0.47) METAP2CYP1A2
SCHEMBL3762000 0.80 HPGDS (0.47) IDO1RAB9ANPC1CYP1A2
SCHEMBL3755620 0.78 CLK4 (0.54) IDO1CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL30646270 0.77 NPC1 (0.42) RAB9ANPC1
SCHEMBL18114551 0.76 ROCK2 (0.49) IDO1METAP2RAB9ANPC1
SCHEMBL18114556 0.75 ROCK2 (0.49) IDO1METAP2RAB9ANPC1KDM4E
SCHEMBL19981078 0.74 CYP1A2 (0.58) RAB9ANPC1CYP1A2BCHEACHE
SCHEMBL30483555 0.74 CYP1A2 (0.58) RAB9ANPC1CYP1A2BCHEACHE
SCHEMBL18806847 0.74 RAB9A (0.49) IDO1METAP2RAB9ANPC1CYP1A2
SCHEMBL30014845 0.74 BCHE (0.61) IDO1METAP2RAB9ANPC1BCHE

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-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US claimed
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US disclosed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 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-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS DPYD, TYMP, TYMS IDO1 1872/4885METAP2 2633/4885RAB9A 2990/4885

“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.