SCHEMBL27249786

SCHEMBL27249786

Cn1nc(-c2ncc[nH]2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ NISCH Q9Y2I1 2/20 0.43
▸ MTOR P42345 1/20 0.43
▸ ADK P55263 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ CCNT1 O60563 2/20 0.38
▸ CDK1 P06493 2/20 0.38
▸ CCNB1 P14635 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ KCNK13 Q9HB14 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ DDB1 Q16531 2/20 0.36

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
SCHEMBL10063594 0.80 CCR1 (0.41) NISCHMTORADKKDM4CNAMPT
SCHEMBL27249781 0.75 KDM4E (0.57) NISCHMTORADKCCNT1CDK9
SCHEMBL19580525 0.74 HTR2A (0.48) HTR2AHTR2CHTR2BKDM4CCCNT1
SCHEMBL3542117 0.73 KDM4E (0.62) HTR2AHTR2CHTR2BCDK1MEN1
SCHEMBL12075267 0.72 HTR2A (0.49) HTR2AHTR2CHTR2BKDM4CCCNT1
SCHEMBL822675 0.71 L3MBTL1 (0.56) HTR2AHTR2CHTR2BNAMPTMEN1
SCHEMBL26259955 0.69 NISCH (0.61) NISCHMTORADKMEN1KMT2A
SCHEMBL15344906 0.69 CCR1 (0.48) HTR2AHTR2CHTR2BKDM4CCCNT1
SCHEMBL12075563 0.68 HTR2A (0.48) HTR2AHTR2CHTR2BKDM4CCCNT1
SCHEMBL16432908 0.68 HTR2A (0.51) HTR2AHTR2CHTR2BNISCHKDM4C

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-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 — — US disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 — — US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 — — US disclosed
WO-2024077391-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2024-04-18 — — 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 (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-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS HTR2A 4520/4885HTR2C 4102/4885HTR2B 4256/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD HTR2A 4199/4885HTR2C 3644/4885HTR2B 4013/4885

“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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