SCHEMBL17824285

SCHEMBL17824285

COCCOC(=O)Cn1c(NCc2ccccc2)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ MAPT P10636 3/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ CYP2C19 P33261 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ TSHR P16473 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ THRB P10828 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47

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
SCHEMBL17824312 0.83 RAB9A (0.64) DRD2TBXA2RMAPTCYP1A2CYP2C19
SCHEMBL17824296 0.83 DRD2 (0.50) DRD2TBXA2RMAPTCYP1A2CYP2C19
SCHEMBL17833387 0.83 DRD2 (0.50) DRD2TBXA2RMAPTCYP1A2CYP2C19
SCHEMBL17824284 0.83 DRD2 (0.50) DRD2TBXA2RMAPTCYP1A2CYP2C19
SCHEMBL19714240 0.82 RAB9A (0.59) DRD2TBXA2RMAPTCYP1A2CYP2C19
SCHEMBL19714470 0.82 ALDH1A1 (0.56) DRD2TBXA2RMAPTCYP1A2CYP2C19
SCHEMBL19714188 0.82 RAB9A (0.61) DRD2TBXA2RMAPTCYP1A2CYP2C19
SCHEMBL19714481 0.81 SMN1; SMN2 (0.60) MAPTCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL19713871 0.81 CYP1A2 (0.63) MAPTCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL17833385 0.80 LMNA (0.60) DRD2TBXA2RMAPTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 — — US disclosed
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 — — US disclosed
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 — — US disclosed
EP-3230275-A1 PRO-SURVIVAL COMPOUNDS University Court of The University of Glasgow (GB) 2017-10-18 — — EP disclosed
WO-2016092327-A1 PRO-SURVIVAL COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2016-06-16 — — 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-20170362184-A1 PRO-SURVIVAL COMPOUNDS MCL1, MKI67, MORF4L1 DRD2 4166/4885TBXA2R 3479/4885MAPT 4635/4885

“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.

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