SCHEMBL1456103

SCHEMBL1456103

Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cn4)nn3)nn2)nc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.84
CCR5 P51681 2/20 0.84
CCR8 P51685 2/20 0.84
HDAC6 Q9UBN7 1/20 0.84
METAP2 P50579 1/20 0.57
CYP3A4 P08684 1/20 0.50
CYP2A6 P11509 1/20 0.50
NOS3 P29474 1/20 0.48
NOS2 P35228 1/20 0.48
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42

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
Abametapir SCHEMBL29374261 0.92 CCR1 (1.00) CCR1CCR5CCR8HDAC6METAP2
Abametapir SCHEMBL351152 0.92 CCR1 (1.00) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL17051503 0.91 CCR1 (0.70) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL21170481 0.87 CCR1 (0.64) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL14804379 0.86 CCR1 (0.89) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL17051588 0.82 CCR1 (0.57) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL26721041 0.82 CCR1 (0.71) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL5612786 0.81 CCR1 (0.61) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL14804380 0.80 CCR1 (0.76) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL17051587 0.80 CCR1 (0.59) CCR1CCR5CCR8HDAC6METAP2

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-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 US disclosed
EP-2295428-A2 Linear pyridazine and pyrrolic compounds, methods of preparation and applications Centre National de la Recherche Scientifique (CNRS) (FR) 2011-03-16 EP disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 US disclosed
US-20100004443-A1 LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, METHOD FOR OBTAINING THEM AND APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N. (FR) 2010-01-07 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-20100004443-A1 LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, METHOD FOR OBTAINING THEM AND APPLICATIONS PPOX, PNPO, PLPBP CCR1 3399/4885CCR5 997/4885CCR8 3114/4885
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses PPOX, PNPO, PLPBP CCR1 3696/4885CCR5 1706/4885CCR8 3435/4885

“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.