SCHEMBL10104276

SCHEMBL10104276

Cc1cc(C2CCCC2)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADCY8 P40145 1/20 0.42
ADCY1 Q08828 1/20 0.42
NOTUM Q6P988 1/20 0.41
HTR2C P28335 4/20 0.41
PTPN5 P54829 1/20 0.40
DRD2 P14416 1/20 0.37
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
KDM1A O60341 1/20 0.35
NR1I2 O75469 1/20 0.33
KDM4B O94953 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
DOHH Q9BU89 1/20 0.33

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
SCHEMBL16729426 0.92 NOTUM (0.46) ADCY8ADCY1NOTUMHTR2CPTPN5
SCHEMBL18781907 0.86 ADCY8 (0.37) ADCY8ADCY1NOTUMHTR2CPTPN5
SCHEMBL15787250 0.84 NOTUM (0.41) ADCY8ADCY1NOTUMHTR2CPTPN5
SCHEMBL17229877 0.84 HTR2C (0.62) NOTUMHTR2CPTPN5
SCHEMBL428040 0.83 DRD2 (0.46) NOTUMHTR2CPTPN5DRD2
SCHEMBL25795136 0.82 ADCY8 (0.37) ADCY8ADCY1NOTUMPTPN5
SCHEMBL15561968 0.82 HTR2C (0.47) NOTUMHTR2CPTPN5DRD2GABRA2
SCHEMBL28176195 0.82 NR1I2 (0.42) HTR2CDRD2NR1I2KDM4BCHRM1
SCHEMBL18051411 0.82 HTR2C (0.50) HTR2CPTPN5
SCHEMBL25783933 0.81 CYP2D6 (0.38) ADCY8ADCY1HTR2CNR1I2KDM4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 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-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 ADCY8 4552/4885ADCY1 3286/4885NOTUM 4803/4885

“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.