SCHEMBL19088055

SCHEMBL19088055

Cc1c(CCNCl)c2ccccc2n1Cc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PLA2G2A P14555 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.44
DNM1 Q05193 1/20 0.41
THRB P10828 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL19088057 0.86 CYP1A2 (0.56) GFERCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL19064547 0.85 CYP1A2 (0.71) GFERCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL19088165 0.83 GFER (0.74) GFERALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL20787987 0.79 ALDH1A1 (0.54) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL20769712 0.78 PTGDR2 (0.69) GFERALDH1A1PTGDR2MEN1KMT2A
SCHEMBL20791850 0.77 L3MBTL1 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL30616060 0.75 ALDH1A1 (0.62) CYP1A2CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL29093705 0.75 ALDH1A1 (0.62) CYP1A2CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL20789129 0.74 ALDH1A1 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL23961454 0.72 CYP1A2 (0.62) GFERCYP1A2CYP3A4CYP2D6CYP2C19

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-20220023315-A1 METHODS OF ACTIVATING MICROGLIAL CELLS UNIV NEW YORK STATE RES FOUND (US) 2022-01-27 US disclosed
EP-3397254-B1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER UNIV NEW YORK STATE RES FOUND (US) 2021-10-27 EP disclosed
US-10736877-B2 Tryptamine-based ship inhibitors for the treatment of cancer SYRACUSE UNIVERSITY (US) 2020-08-11 US disclosed
WO-2017117581-A1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-07-06 WO disclosed
US-20170189380-A1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2017-07-06 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 (3 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-20170189380-A1 TRYPTAMINE-BASED SHIP INHIBITORS FOR THE TREATMENT OF CANCER TPH1, INPP5B, INPP5D GFER 4874/4885CYP1A2 4798/4885CYP3A4 4809/4885
US-10736877-B2 Tryptamine-based ship inhibitors for the treatment of cancer TPH1, INPP5B, INPP5D GFER 4874/4885CYP1A2 4798/4885CYP3A4 4809/4885
US-20220023315-A1 METHODS OF ACTIVATING MICROGLIAL CELLS LPCAT3, PLAAT2, PLA2G4B GFER 3339/4885CYP1A2 4877/4885CYP3A4 4884/4885

“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.