SCHEMBL19714481

SCHEMBL19714481

COCCn1c(NCc2ccccc2)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ TP53 P04637 4/20 0.60
▸ MAPT P10636 4/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ CYP2D6 P10635 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ HPGD P15428 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ RAB9A P51151 3/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ NPC1 O15118 2/20 0.56
▸ USP2 O75604 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ THRB P10828 1/20 0.55

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
SCHEMBL17824307 0.92 SMN1; SMN2 (0.58) SMN1; SMN2TP53MAPTCYP1A2CYP3A4
SCHEMBL17833378 0.90 MAPT (0.65) SMN1; SMN2TP53MAPTCYP1A2CYP3A4
SCHEMBL19714271 0.85 CYP1A2 (0.59) SMN1; SMN2TP53MAPTCYP1A2CYP3A4
SCHEMBL27898226 0.84 CYP1A2 (0.68) SMN1; SMN2TP53MAPTCYP1A2CYP3A4
SCHEMBL27898285 0.82 ALDH1A1 (0.83) SMN1; SMN2TP53MAPTCYP1A2CYP3A4
SCHEMBL17824285 0.81 DRD2 (0.52) SMN1; SMN2TP53MAPTCYP1A2CYP3A4
SCHEMBL17824299 0.81 RAB9A (0.53) SMN1; SMN2TP53MAPTCYP1A2CYP3A4
SCHEMBL17824312 0.80 RAB9A (0.64) SMN1; SMN2TP53MAPTCYP1A2CYP3A4
SCHEMBL1170660 0.80 ALDH1A1 (0.86) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL17824296 0.79 DRD2 (0.50) SMN1; SMN2TP53MAPTCYP1A2CYP3A4

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-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 — — 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-20170362184-A1 PRO-SURVIVAL COMPOUNDS MCL1, MKI67, MORF4L1 SMN1; SMN2 10/4885TP53 32/4885MAPT 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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