SCHEMBL20975374

SCHEMBL20975374

CCCOc1nc2ccccc2c(N2CCNCC2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.44
▸ TP53 P04637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ NCF1 P14598 4/20 0.41
▸ ADRB1 P08588 2/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HTR4 Q13639 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL6529865 0.85 PDE10A (0.50) PDE10ANCF1ALDH1A1HPGDKDM4E
SCHEMBL12495118 0.84 ALDH1A1 (0.38) PDE10ANCF1ADRB1ALDH1A1MAPK1
SCHEMBL12495119 0.84 HTR2C (0.41) CYP1A2CYP3A4ALDH1A1HTR4MAPK1
SCHEMBL20975373 0.80 KDM4E (0.46) TP53LMNACYP1A2CYP3A4CYP2D6
SCHEMBL2871464 0.80 ALDH1A1 (0.42) TP53CYP1A2ALDH1A1HTR4MAPK1
SCHEMBL5526576 0.77 ALDH1A1 (0.47) LMNATSHRALDH1A1MAPK1HSD17B10
SCHEMBL7916445 0.77 ALDH1A1 (0.40) TP53LMNACYP1A2ALDH1A1MAPK1
SCHEMBL7916403 0.77 ALDH1A1 (0.40) TP53CYP1A2TSHRALDH1A1HTR4
SCHEMBL7914421 0.76 ALDH1A1 (0.40) TP53CYP1A2TSHRALDH1A1HTR4
SCHEMBL7914410 0.76 ALDH1A1 (0.40) TP53LMNACYP1A2CYP2D6TSHR

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-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases GENOSCIENCE PHARMA (FR) 2020-03-03 — — US disclosed
US-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2019-05-16 — — 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 (2 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-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES NQO2, RECQL, CCNO PDE10A 2401/4885TP53 26/4885LMNA 3290/4885
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases NQO2, RECQL, CCNO PDE10A 2401/4885TP53 26/4885LMNA 3290/4885

“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.

Send feedback