SCHEMBL7002186

SCHEMBL7002186

O=c1c2c[nH]nc2ncn1Cc1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
ROCK2 O75116 1/20 0.41
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
GRK2 P25098 4/20 0.39
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CCND2 P30279 1/20 0.38

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
SCHEMBL7004560 0.80 SMN1; SMN2 (0.52) ALDH1A1KDM4EGAALMNAGRK2
SCHEMBL7002674 0.80 GRK2 (0.52) KDM4ELMNAPOLBGRK2HPGD
SCHEMBL6997875 0.78 CHRM1 (0.52) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL7002562 0.76 KDM4E (0.53) MAPK1ALDH1A1KDM4EGAALMNA
SCHEMBL6998588 0.76 MEN1 (0.43) TSHRMAPK1ALDH1A1ROCK2LMNA
SCHEMBL7081643 0.76 TSHR (0.45) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL7006249 0.76 ALDH1A1 (0.54) TSHRMAPK1ALDH1A1LMNATP53
SCHEMBL7081942 0.76 LMNA (0.46) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL7003741 0.76 KDM4E (0.49) MAPK1ALDH1A1KDM4EROCK2TP53
SCHEMBL7003110 0.76 TP53 (0.53) TSHRMAPK1GAALMNATP53

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-20030186997-A1 2,5-Dihydro-pyrazolo[3,4-d]pyrimidin-4-ones with an anticonsulsive action and methods for producing the same ELBION AG (DE) 2003-10-02 US claimed
US-20030186997-A1 2,5-Dihydro-pyrazolo[3,4-d]pyrimidin-4-ones with an anticonsulsive action and methods for producing the same ELBION AG (DE) 2003-10-02 US disclosed
EP-1311510-A1 2,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES WITH AN ANTICONVULSIVE ACTION AND METHODS FOR PRODUCING THE SAME ARZNEIMITTELWERK DRESDEN GMBH (DE) 2003-05-21 EP disclosed
WO-2002018387-A1 2,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES WITH AN ANTICONVULSIVE ACTION AND METHODS FOR PRODUCING THE SAME ELBION AG (DE) 2002-03-07 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 (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-20030186997-A1 2,5-Dihydro-pyrazolo[3,4-d]pyrimidin-4-ones with an anticonsulsive action and methods for producing the same DDO, GRIN3A, GRIK4 TSHR 3213/4885MAPK1 3675/4885ALDH1A1 568/4885

“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.